G071-0129 Screening compound: N~1~-mesityl-2-{[6-(4-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide

G071-0129 Screening compound: N~1~-mesityl-2-{[6-(4-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide
G071-0129 Screening compound: N~1~-mesityl-2-{[6-(4-methylbenzyl)-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 G071-0129
N~1~-mesityl-2-{[6-(4-methylbenzyl)-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

G071-0129

Molecular Formula

C29H28N4O3S2 (C29 H28 N4 O3 S2)

Compound Name

N~1~-mesityl-2-{[6-(4-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide

IUPAC name

2-({9-[(4-methylphenyl)methyl]-88-dioxo-8lambda6-thia-359-triazatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaen-4-yl}sulfanyl)-N-(246-trimethylphenyl)acetamide

SMILES

Cc1ccc(CN(c(cccc2)c2-c2c3cnc(SCC(Nc4c(C)cc(C)cc4C)=O)n2)S3(=O)=O)cc1

InChI

InChI=1S/C29H28N4O3S2/c1-18-9-11-22(12-10-18)16-33-24-8-6-5-7-23(24)28-25(38(33,35)36)15-30-29(32-28)37-17-26(34)31-27-20(3)13-19(2)14-21(27)4/h5-15H,16-17H2,1-4H3,(H,31,34)

InChI Key

RTJQOAJGYJWOOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.7

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.331

Distribution Coefficient, logD

5.331

Water Solubility, LogSw

-5.18

Polar Surface Area

70.920

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

G071-0129 in Drug Discovery

Included in Screening Libraries

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 G071-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0129?
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What is the minimum amount of G071-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0129
  • 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 G071-0129 available by request