G071-0707 Screening compound: N~1~-benzyl-2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide

G071-0707 Screening compound: N~1~-benzyl-2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
G071-0707 Screening compound: N~1~-benzyl-2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-0707
N~1~-benzyl-2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]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

G071-0707

Molecular Formula

C20H17ClN4O3S2 (C20 H17 ClN4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(Cl)c1)c1-c1nc(SCC(NCc2ccccc2)=O)ncc11)S1(=O)=O

InChI

InChI=1S/C20H17ClN4O3S2/c1-25-16-8-7-14(21)9-15(16)19-17(30(25,27)28)11-23-20(24-19)29-12-18(26)22-10-13-5-3-2-4-6-13/h2-9,11H,10,12H2,1H3,(H,22,26)

InChI Key

NLLLNQRFCINRQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.96

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.663

Distribution Coefficient, logD

3.663

Water Solubility, LogSw

-4.02

Polar Surface Area

74.915

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

G071-0707 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with G071-0707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0707?
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What is the minimum amount of G071-0707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0707
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0707
  • 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 G071-0707 available by request