G071-0978 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~-(3-methylphenyl)acetamide

G071-0978 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~-(3-methylphenyl)acetamide
G071-0978 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~-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-0978
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~-(3-methylphenyl)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

G071-0978

Molecular Formula

C26H21ClN4O3S2 (C26 H21 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~-(3-methylphenyl)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-(3-methylphenyl)acetamide

SMILES

Cc1cccc(NC(CSc(nc2)nc(-c(ccc(Cl)c3)c3N3Cc4ccccc4)c2S3(=O)=O)=O)c1

InChI

InChI=1S/C26H21ClN4O3S2/c1-17-6-5-9-20(12-17)29-24(32)16-35-26-28-14-23-25(30-26)21-11-10-19(27)13-22(21)31(36(23,33)34)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,29,32)

InChI Key

NTOZABJUKZMHDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.06

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

5.470

Distribution Coefficient, logD

5.470

Water Solubility, LogSw

-5.78

Polar Surface Area

72.316

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

G071-0978 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 G071-0978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0978?
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What is the minimum amount of G071-0978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0978
  • 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 G071-0978 available by request