G071-0495 Screening compound: N~1~-(2-chloro-4-methylphenyl)-2-[(6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide

G071-0495 Screening compound: N~1~-(2-chloro-4-methylphenyl)-2-[(6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
G071-0495 Screening compound: N~1~-(2-chloro-4-methylphenyl)-2-[(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 G071-0495
N~1~-(2-chloro-4-methylphenyl)-2-[(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

G071-0495

Molecular Formula

C20H17ClN4O3S2 (C20 H17 ClN4 O3 S2)

Compound Name

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

IUPAC name

N-(2-chloro-4-methylphenyl)-2-({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

Cc(cc1)cc(Cl)c1NC(CSc(nc1)nc(-c(cccc2)c2N2C)c1S2(=O)=O)=O

InChI

InChI=1S/C20H17ClN4O3S2/c1-12-7-8-15(14(21)9-12)23-18(26)11-29-20-22-10-17-19(24-20)13-5-3-4-6-16(13)25(2)30(17,27)28/h3-10H,11H2,1-2H3,(H,23,26)

InChI Key

DJTGUPAQMPOFHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979292

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

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.938

Distribution Coefficient, logD

3.938

Water Solubility, LogSw

-4.17

Polar Surface Area

72.895

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

G071-0495 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G071-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G071-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0495
  • 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 G071-0495 available by request