G072-1841 Screening compound: N-{2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}cyclohexanecarboxamide

G072-1841 Screening compound: N-{2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}cyclohexanecarboxamide
G072-1841 Screening compound: N-{2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-1841
N-{2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}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

G072-1841

Molecular Formula

C21H21N5O2S3 (C21 H21 N5 O2 S3)

Compound Name

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

IUPAC name

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

SMILES

CC(SC1=NC(CSc2nc(ccc(NC(C3CCCCC3)=O)c3)c3s2)=C2)=NN1C2=O

InChI

InChI=1S/C21H21N5O2S3/c1-12-25-26-18(27)10-15(23-20(26)30-12)11-29-21-24-16-8-7-14(9-17(16)31-21)22-19(28)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,22,28)

InChI Key

KQOCNFUXHSVIIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.63

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

4.653

Distribution Coefficient, logD

4.650

Water Solubility, LogSw

-4.42

Polar Surface Area

69.809

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G072-1841 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G072-1841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-1841?
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What is the minimum amount of G072-1841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-1841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-1841
  • 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 G072-1841 available by request