G071-0022 Screening compound: 2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-(3,5-dimethoxyphenyl)acetamide

G071-0022 Screening compound: 2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-(3,5-dimethoxyphenyl)acetamide
G071-0022 Screening compound: 2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-(3,5-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-0022
2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-(3,5-dimethoxyphenyl)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

G071-0022

Molecular Formula

C27H24N4O5S2 (C27 H24 N4 O5 S2)

Compound Name

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

IUPAC name

2-({9-benzyl-88-dioxo-8lambda6-thia-359-triazatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaen-4-yl}sulfanyl)-N-(35-dimethoxyphenyl)acetamide

SMILES

COc1cc(NC(CSc(nc2)nc(-c(cccc3)c3N3Cc4ccccc4)c2S3(=O)=O)=O)cc(OC)c1

InChI

InChI=1S/C27H24N4O5S2/c1-35-20-12-19(13-21(14-20)36-2)29-25(32)17-37-27-28-15-24-26(30-27)22-10-6-7-11-23(22)31(38(24,33)34)16-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,29,32)

InChI Key

XULAJWPJXDLUPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.533

Distribution Coefficient, logD

4.533

Water Solubility, LogSw

-4.29

Polar Surface Area

87.403

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with G071-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0022?
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What is the minimum amount of G071-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0022
  • 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 G071-0022 available by request