D391-0088 Screening compound: N,N-dimethyl-3-[2-(2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl)acetyl]benzene-1-sulfonamide

D391-0088 Screening compound: N,N-dimethyl-3-[2-(2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl)acetyl]benzene-1-sulfonamide
D391-0088 Screening compound: N,N-dimethyl-3-[2-(2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl)acetyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D391-0088
N,N-dimethyl-3-[2-(2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl)acetyl]benzene-1-sulfonamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D391-0088

Molecular Formula

C20H20N2O6S (C20 H20 N2 O6 S)

Compound Name

N,N-dimethyl-3-[2-(2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl)acetyl]benzene-1-sulfonamide

IUPAC name

NN-dimethyl-3-[2-(2-methyl-35-dioxo-2345-tetrahydro-14-benzoxazepin-4-yl)acetyl]benzene-1-sulfonamide

SMILES

CC(C(N1CC(c2cccc(S(N(C)C)(=O)=O)c2)=O)=O)Oc(cccc2)c2C1=O

InChI

InChI=1S/C20H20N2O6S/c1-13-19(24)22(20(25)16-9-4-5-10-18(16)28-13)12-17(23)14-7-6-8-15(11-14)29(26,27)21(2)3/h4-11,13H,12H2,1-3H3/t13-/m0/s1

InChI Key

UKRIUSGBADQLHQ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD12918375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.45

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.651

Distribution Coefficient, logD

1.651

Water Solubility, LogSw

-2.82

Polar Surface Area

84.098

Acid Dissociation Constant (pKa)

19.54

Base Dissociation Constant (pKb)

-3.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D391-0088 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D391-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D391-0088?
Check Price and Availability of D391-0088, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D391-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D391-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D391-0088
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D391-0088 available by request