G071-0887 Screening compound: 2-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-(2-methoxyphenyl)acetamide

G071-0887 Screening compound: 2-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-(2-methoxyphenyl)acetamide
G071-0887 Screening compound: 2-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-(2-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-0887
2-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-(2-methoxyphenyl)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

G071-0887

Molecular Formula

C21H20N4O4S2 (C21 H20 N4 O4 S2)

Compound Name

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

IUPAC name

2-({913-dimethyl-88-dioxo-8lambda6-thia-359-triazatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaen-4-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide

SMILES

Cc(cc1)cc(-c2c3cnc(SCC(Nc(cccc4)c4OC)=O)n2)c1N(C)S3(=O)=O

InChI

InChI=1S/C21H20N4O4S2/c1-13-8-9-16-14(10-13)20-18(31(27,28)25(16)2)11-22-21(24-20)30-12-19(26)23-15-6-4-5-7-17(15)29-3/h4-11H,12H2,1-3H3,(H,23,26)

InChI Key

LMDXRBFVSZBRQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.460

Distribution Coefficient, logD

3.460

Water Solubility, LogSw

-3.80

Polar Surface Area

80.525

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with G071-0887 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G071-0887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0887
  • 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 G071-0887 available by request