G071-1023 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~-(4-ethylphenyl)acetamide

G071-1023 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~-(4-ethylphenyl)acetamide
G071-1023 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~-(4-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-1023
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~-(4-ethylphenyl)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

G071-1023

Molecular Formula

C27H23ClN4O3S2 (C27 H23 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~-(4-ethylphenyl)acetamide

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-(4-ethylphenyl)acetamide

SMILES

CCc(cc1)ccc1NC(CSc(nc1)nc(-c(ccc(Cl)c2)c2N2Cc3ccccc3)c1S2(=O)=O)=O

InChI

InChI=1S/C27H23ClN4O3S2/c1-2-18-8-11-21(12-9-18)30-25(33)17-36-27-29-15-24-26(31-27)22-13-10-20(28)14-23(22)32(37(24,34)35)16-19-6-4-3-5-7-19/h3-15H,2,16-17H2,1H3,(H,30,33)

InChI Key

BGZLOVVOXRVTKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.09

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.041

Distribution Coefficient, logD

6.041

Water Solubility, LogSw

-5.92

Polar Surface Area

72.316

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

G071-1023 in Drug Discovery

Included in Screening Libraries

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 G071-1023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-1023?
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What is the minimum amount of G071-1023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-1023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-1023
  • 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 G071-1023 available by request