G071-1312 Screening compound: 2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-(2-ethylphenyl)acetamide

G071-1312 Screening compound: 2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-(2-ethylphenyl)acetamide
G071-1312 Screening compound: 2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-(2-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-1312
2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-(2-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

G071-1312

Molecular Formula

C27H23ClN4O3S2 (C27 H23 ClN4 O3 S2)

Compound Name

2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-(2-ethylphenyl)acetamide

IUPAC name

2-({9-benzyl-13-chloro-88-dioxo-8lambda6-thia-359-triazatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaen-4-yl}sulfanyl)-N-(2-ethylphenyl)acetamide

SMILES

CCc(cccc1)c1NC(CSc(nc1-c(cc(cc2)Cl)c2N2Cc3ccccc3)ncc1S2(=O)=O)=O

InChI

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

InChI Key

QXJXBTATHHJIHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979599

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

5.661

Distribution Coefficient, logD

5.661

Water Solubility, LogSw

-5.78

Polar Surface Area

71.618

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

G071-1312 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

MCL1 Targeted Library (12200 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 G071-1312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-1312?
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What is the minimum amount of G071-1312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-1312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-1312
  • 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 G071-1312 available by request