G072-2181 Screening compound: 2-methoxy-N-{2-[({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide

G072-2181 Screening compound: 2-methoxy-N-{2-[({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide
G072-2181 Screening compound: 2-methoxy-N-{2-[({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-2181
2-methoxy-N-{2-[({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide

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

G072-2181

Molecular Formula

C23H18N4O3S3 (C23 H18 N4 O3 S3)

Compound Name

2-methoxy-N-{2-[({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide

IUPAC name

2-methoxy-N-{2-[({3-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidin-7-yl}methyl)sulfanyl]-13-benzothiazol-6-yl}benzamide

SMILES

CC(N12)=CSC2=NC(CSc2nc(ccc(NC(c(cccc3)c3OC)=O)c3)c3s2)=CC1=O

InChI

InChI=1S/C23H18N4O3S3/c1-13-11-31-22-25-15(10-20(28)27(13)22)12-32-23-26-17-8-7-14(9-19(17)33-23)24-21(29)16-5-3-4-6-18(16)30-2/h3-11H,12H2,1-2H3,(H,24,29)

InChI Key

BHZTZRJVFGZFPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.62

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

4.318

Distribution Coefficient, logD

4.307

Water Solubility, LogSw

-4.47

Polar Surface Area

65.390

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

G072-2181 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G072-2181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-2181?
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What is the minimum amount of G072-2181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-2181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-2181
  • 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 G072-2181 available by request