G071-1340 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~-(3,4-dimethoxyphenethyl)acetamide

G071-1340 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~-(3,4-dimethoxyphenethyl)acetamide
G071-1340 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~-(3,4-dimethoxyphenethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-1340
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~-(3,4-dimethoxyphenethyl)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

G071-1340

Molecular Formula

C29H27ClN4O5S2 (C29 H27 ClN4 O5 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~-(3,4-dimethoxyphenethyl)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-(34-dimethoxyphenyl)ethyl]acetamide

SMILES

COc(ccc(CCNC(CSc(nc1-c(cc(cc2)Cl)c2N2Cc3ccccc3)ncc1S2(=O)=O)=O)c1)c1OC

InChI

InChI=1S/C29H27ClN4O5S2/c1-38-24-11-8-19(14-25(24)39-2)12-13-31-27(35)18-40-29-32-16-26-28(33-29)22-15-21(30)9-10-23(22)34(41(26,36)37)17-20-6-4-3-5-7-20/h3-11,14-16H,12-13,17-18H2,1-2H3,(H,31,35)

InChI Key

CDLZQGYFUTWNGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

611.14

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.134

Distribution Coefficient, logD

4.134

Water Solubility, LogSw

-4.52

Polar Surface Area

88.740

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

G071-1340 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with G071-1340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-1340?
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What is the minimum amount of G071-1340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-1340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-1340
  • 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 G071-1340 available by request