G071-0448 Screening compound: 2-[(6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-(4-methylphenyl)acetamide

G071-0448 Screening compound: 2-[(6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-(4-methylphenyl)acetamide
G071-0448 Screening compound: 2-[(6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-0448
2-[(6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-(4-methylphenyl)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

G071-0448

Molecular Formula

C20H18N4O3S2 (C20 H18 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(CSc(nc1)nc(-c(cccc2)c2N2C)c1S2(=O)=O)=O

InChI

InChI=1S/C20H18N4O3S2/c1-13-7-9-14(10-8-13)22-18(25)12-28-20-21-11-17-19(23-20)15-5-3-4-6-16(15)24(2)29(17,26)27/h3-11H,12H2,1-2H3,(H,22,25)

InChI Key

HZLXIGXPONYDMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

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

3.638

Distribution Coefficient, logD

3.638

Water Solubility, LogSw

-3.91

Polar Surface Area

73.593

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with G071-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0448?
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What is the minimum amount of G071-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0448
  • 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 G071-0448 available by request