G071-1309 Screening compound: methyl 4-({2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetyl}amino)benzoate

G071-1309 Screening compound: methyl 4-({2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetyl}amino)benzoate
G071-1309 Screening compound: methyl 4-({2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-1309
methyl 4-({2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetyl}amino)benzoate

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

G071-1309

Molecular Formula

C27H21ClN4O5S2 (C27 H21 ClN4 O5 S2)

Compound Name

methyl 4-({2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetyl}amino)benzoate

IUPAC name

methyl 4-[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)acetamido]benzoate

SMILES

COC(c(cc1)ccc1NC(CSc(nc1-c(cc(cc2)Cl)c2N2Cc3ccccc3)ncc1S2(=O)=O)=O)=O

InChI

InChI=1S/C27H21ClN4O5S2/c1-37-26(34)18-7-10-20(11-8-18)30-24(33)16-38-27-29-14-23-25(31-27)21-13-19(28)9-12-22(21)32(39(23,35)36)15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,30,33)

InChI Key

HTNMFFOMFNMJNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

581.07

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.252

Distribution Coefficient, logD

5.252

Water Solubility, LogSw

-5.62

Polar Surface Area

93.490

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

G071-1309 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 G071-1309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-1309?
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What is the minimum amount of G071-1309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-1309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-1309
  • 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 G071-1309 available by request