G072-1845 Screening compound: 3-methyl-N-{2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide

G072-1845 Screening compound: 3-methyl-N-{2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide
G072-1845 Screening compound: 3-methyl-N-{2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-1845
3-methyl-N-{2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[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

G072-1845

Molecular Formula

C22H17N5O2S3 (C22 H17 N5 O2 S3)

Compound Name

3-methyl-N-{2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide

IUPAC name

3-methyl-N-{2-[({2-methyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methyl)sulfanyl]-13-benzothiazol-6-yl}benzamide

SMILES

CC(SC1=NC(CSc2nc(ccc(NC(c3cc(C)ccc3)=O)c3)c3s2)=C2)=NN1C2=O

InChI

InChI=1S/C22H17N5O2S3/c1-12-4-3-5-14(8-12)20(29)23-15-6-7-17-18(9-15)32-22(25-17)30-11-16-10-19(28)27-21(24-16)31-13(2)26-27/h3-10H,11H2,1-2H3,(H,23,29)

InChI Key

XHPRYQBZUGGBSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.61

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

4.920

Distribution Coefficient, logD

4.916

Water Solubility, LogSw

-4.69

Polar Surface Area

69.617

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G072-1845 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G072-1845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-1845?
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What is the minimum amount of G072-1845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-1845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-1845
  • 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 G072-1845 available by request