6405-0137 Screening compound: N~1~-(3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-(4-methoxyphenoxy)acetamide

6405-0137 Screening compound: N~1~-(3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-(4-methoxyphenoxy)acetamide
6405-0137 Screening compound: N~1~-(3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-(4-methoxyphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6405-0137
N~1~-(3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-(4-methoxyphenoxy)acetamide

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

6405-0137

Molecular Formula

C29H30N2O6S (C29 H30 N2 O6 S)

Compound Name

N~1~-(3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-(4-methoxyphenoxy)acetamide

IUPAC name

N-(3-benzoyl-11-dioxo-2-pentyl-2H-1lambda62-benzothiazin-4-yl)-2-(4-methoxyphenoxy)acetamide

SMILES

CCCCCN(C(C(c1ccccc1)=O)=C(c1c2cccc1)NC(COc(cc1)ccc1OC)=O)S2(=O)=O

InChI

InChI=1S/C29H30N2O6S/c1-3-4-10-19-31-28(29(33)21-11-6-5-7-12-21)27(24-13-8-9-14-25(24)38(31,34)35)30-26(32)20-37-23-17-15-22(36-2)16-18-23/h5-9,11-18H,3-4,10,19-20H2,1-2H3,(H,30,32)

InChI Key

PTYYBQNAOGCDMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04028805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.498

Distribution Coefficient, logD

2.279

Water Solubility, LogSw

-5.34

Polar Surface Area

83.509

Acid Dissociation Constant (pKa)

4.18

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

6405-0137 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6405-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6405-0137?
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What is the minimum amount of 6405-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6405-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6405-0137
  • 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 6405-0137 available by request