D479-0091 Screening compound: 5-[2-(3,4-dimethoxyphenyl)acetyl]-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

D479-0091 Screening compound: 5-[2-(3,4-dimethoxyphenyl)acetyl]-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
D479-0091 Screening compound: 5-[2-(3,4-dimethoxyphenyl)acetyl]-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D479-0091
5-[2-(3,4-dimethoxyphenyl)acetyl]-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

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

D479-0091

Molecular Formula

C20H22N2O4 (C20 H22 N2 O4)

Compound Name

5-[2-(3,4-dimethoxyphenyl)acetyl]-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

IUPAC name

5-[2-(34-dimethoxyphenyl)acetyl]-4-methyl-2345-tetrahydro-1H-15-benzodiazepin-2-one

SMILES

CC(C1)N(C(Cc(cc2)cc(OC)c2OC)=O)c(cccc2)c2NC1=O

InChI

InChI=1S/C20H22N2O4/c1-13-10-19(23)21-15-6-4-5-7-16(15)22(13)20(24)12-14-8-9-17(25-2)18(11-14)26-3/h4-9,11,13H,10,12H2,1-3H3,(H,21,23)/t13-/m0/s1

InChI Key

YFIIQELATHRYGS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD12961868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.991

Distribution Coefficient, logD

1.966

Water Solubility, LogSw

-2.74

Polar Surface Area

54.455

Acid Dissociation Constant (pKa)

8.63

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

D479-0091 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with D479-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D479-0091?
Check Price and Availability of D479-0091, 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 D479-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D479-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D479-0091
  • 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 D479-0091 available by request