G072-2033 Screening compound: N-{5-[({2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-fluorobenzamide

G072-2033 Screening compound: N-{5-[({2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-fluorobenzamide
G072-2033 Screening compound: N-{5-[({2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-2033
N-{5-[({2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-fluorobenzamide

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

G072-2033

Molecular Formula

C18H13FN6O2S3 (C18 H13 FN6 O2 S3)

Compound Name

N-{5-[({2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-fluorobenzamide

IUPAC name

N-{5-[({2-cyclopropyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methyl)sulfanyl]-134-thiadiazol-2-yl}-2-fluorobenzamide

SMILES

O=C(c(cccc1)c1F)Nc1nnc(SCC(N=C2SC(C3CC3)=NN22)=CC2=O)s1

InChI

InChI=1S/C18H13FN6O2S3/c19-12-4-2-1-3-11(12)14(27)21-16-22-23-18(30-16)28-8-10-7-13(26)25-17(20-10)29-15(24-25)9-5-6-9/h1-4,7,9H,5-6,8H2,(H,21,22,27)

InChI Key

CQPFKRCCPQWNAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.901

Distribution Coefficient, logD

3.606

Water Solubility, LogSw

-4.22

Polar Surface Area

84.520

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G072-2033 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 G072-2033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-2033?
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What is the minimum amount of G072-2033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-2033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-2033
  • 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 G072-2033 available by request