G071-0542 Screening compound: N~1~-(3,4-dimethylphenyl)-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide

G071-0542 Screening compound: N~1~-(3,4-dimethylphenyl)-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
G071-0542 Screening compound: N~1~-(3,4-dimethylphenyl)-2-[(6-ethyl-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 G071-0542
N~1~-(3,4-dimethylphenyl)-2-[(6-ethyl-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

G071-0542

Molecular Formula

C22H22N4O3S2 (C22 H22 N4 O3 S2)

Compound Name

N~1~-(3,4-dimethylphenyl)-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide

IUPAC name

N-(34-dimethylphenyl)-2-({9-ethyl-88-dioxo-8lambda6-thia-359-triazatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaen-4-yl}sulfanyl)acetamide

SMILES

CCN(c(cccc1)c1-c1c2cnc(SCC(Nc3cc(C)c(C)cc3)=O)n1)S2(=O)=O

InChI

InChI=1S/C22H22N4O3S2/c1-4-26-18-8-6-5-7-17(18)21-19(31(26,28)29)12-23-22(25-21)30-13-20(27)24-16-10-9-14(2)15(3)11-16/h5-12H,4,13H2,1-3H3,(H,24,27)

InChI Key

SUGWLIQHPQKEJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.57

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

4.171

Distribution Coefficient, logD

4.171

Water Solubility, LogSw

-4.07

Polar Surface Area

72.312

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with G071-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0542
  • 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 G071-0542 available by request