G071-1032 Screening compound: 2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-mesitylacetamide

G071-1032 Screening compound: 2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-mesitylacetamide
G071-1032 Screening compound: 2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-mesitylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-1032
2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-mesitylacetamide

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

G071-1032

Molecular Formula

C28H25ClN4O3S2 (C28 H25 ClN4 O3 S2)

Compound Name

2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-mesitylacetamide

IUPAC name

2-({9-benzyl-12-chloro-88-dioxo-8lambda6-thia-359-triazatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaen-4-yl}sulfanyl)-N-(246-trimethylphenyl)acetamide

SMILES

Cc(cc1C)cc(C)c1NC(CSc(nc1)nc(-c(ccc(Cl)c2)c2N2Cc3ccccc3)c1S2(=O)=O)=O

InChI

InChI=1S/C28H25ClN4O3S2/c1-17-11-18(2)26(19(3)12-17)31-25(34)16-37-28-30-14-24-27(32-28)22-10-9-21(29)13-23(22)33(38(24,35)36)15-20-7-5-4-6-8-20/h4-14H,15-16H2,1-3H3,(H,31,34)

InChI Key

IANRVDVAZNHONR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.12

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.623

Distribution Coefficient, logD

5.623

Water Solubility, LogSw

-5.78

Polar Surface Area

70.920

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

G071-1032 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with G071-1032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-1032?
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What is the minimum amount of G071-1032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-1032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-1032
  • 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 G071-1032 available by request