G072-1091 Screening compound: N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]cyclohexanecarboxamide

G072-1091 Screening compound: N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]cyclohexanecarboxamide
G072-1091 Screening compound: N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-1091
N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]cyclohexanecarboxamide

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

G072-1091

Molecular Formula

C22H26N4O2S2 (C22 H26 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(SC1=NC(CSc(cccc2)c2NC(C2CCCCC2)=O)=C2)=NN1C2=O

InChI

InChI=1S/C22H26N4O2S2/c1-14(2)21-25-26-19(27)12-16(23-22(26)30-21)13-29-18-11-7-6-10-17(18)24-20(28)15-8-4-3-5-9-15/h6-7,10-12,14-15H,3-5,8-9,13H2,1-2H3,(H,24,28)

InChI Key

LWGLGJSCLWMPGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.61

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

4.542

Distribution Coefficient, logD

4.538

Water Solubility, LogSw

-4.17

Polar Surface Area

60.856

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with G072-1091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-1091?
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What is the minimum amount of G072-1091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-1091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-1091
  • 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 G072-1091 available by request