Y202-8132 Screening compound: 3-cyclopropyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-propyl-4H-1,2,4-triazole

Y202-8132 Screening compound: 3-cyclopropyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-propyl-4H-1,2,4-triazole
Y202-8132 Screening compound: 3-cyclopropyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-propyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y202-8132
3-cyclopropyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-propyl-4H-1,2,4-triazole

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

Y202-8132

Molecular Formula

C12H16N6O2S (C12 H16 N6 O2 S)

Compound Name

3-cyclopropyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-propyl-4H-1,2,4-triazole

IUPAC name

3-cyclopropyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-propyl-4H-124-triazole

SMILES

CCCn1c(SCn2ncc([N+]([O-])=O)c2)nnc1C1CC1

InChI

InChI=1S/C12H16N6O2S/c1-2-5-17-11(9-3-4-9)14-15-12(17)21-8-16-7-10(6-13-16)18(19)20/h6-7,9H,2-5,8H2,1H3

InChI Key

FWRBZUBBNDDUSL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.131

Distribution Coefficient, logD

2.126

Water Solubility, LogSw

-1.90

Polar Surface Area

71.029

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.33

References: we are preparing a list of scientific research reports with Y202-8132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y202-8132?
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What is the minimum amount of Y202-8132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y202-8132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y202-8132
  • 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 Y202-8132 available by request