G072-0033 Screening compound: 7-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G072-0033 Screening compound: 7-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G072-0033 Screening compound: 7-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-0033
7-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

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

G072-0033

Molecular Formula

C16H14N6O2S2 (C16 H14 N6 O2 S2)

Compound Name

7-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

7-({[5-(4-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-2-methyl-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

CC(SC1=NC(CSc2nnc(-c(cc3)ccc3OC)[nH]2)=C2)=NN1C2=O

InChI

InChI=1S/C16H14N6O2S2/c1-9-21-22-13(23)7-11(17-16(22)26-9)8-25-15-18-14(19-20-15)10-3-5-12(24-2)6-4-10/h3-7H,8H2,1-2H3,(H,18,19,20)

InChI Key

ACRZSIALZYSPNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.253

Distribution Coefficient, logD

1.061

Water Solubility, LogSw

-2.54

Polar Surface Area

77.495

Acid Dissociation Constant (pKa)

5.72

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

G072-0033 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G072-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-0033?
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What is the minimum amount of G072-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-0033
  • 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 G072-0033 available by request