G072-1081 Screening compound: N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]thiophene-2-carboxamide

G072-1081 Screening compound: N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]thiophene-2-carboxamide
G072-1081 Screening compound: N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-1081
N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]thiophene-2-carboxamide

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

G072-1081

Molecular Formula

C20H18N4O2S3 (C20 H18 N4 O2 S3)

Compound Name

N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]thiophene-2-carboxamide

IUPAC name

N-[2-({[5-oxo-2-(propan-2-yl)-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]thiophene-2-carboxamide

SMILES

CC(C)C(SC1=NC(CSc(cccc2)c2NC(c2cccs2)=O)=C2)=NN1C2=O

InChI

InChI=1S/C20H18N4O2S3/c1-12(2)19-23-24-17(25)10-13(21-20(24)29-19)11-28-15-7-4-3-6-14(15)22-18(26)16-8-5-9-27-16/h3-10,12H,11H2,1-2H3,(H,22,26)

InChI Key

NVNALXLBNSIJQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.250

Distribution Coefficient, logD

4.246

Water Solubility, LogSw

-4.19

Polar Surface Area

61.682

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with G072-1081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-1081?
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What is the minimum amount of G072-1081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-1081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-1081
  • 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 G072-1081 available by request