3630-0402 Screening compound: 3-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-4-amine

3630-0402 Screening compound: 3-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-4-amine
3630-0402 Screening compound: 3-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3630-0402
3-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-4-amine

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

3630-0402

Molecular Formula

C9H9FN4S (C9 H9 FN4 S)

Compound Name

3-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-4-amine

IUPAC name

3-{[(4-fluorophenyl)methyl]sulfanyl}-4H-124-triazol-4-amine

SMILES

Nn1c(SCc(cc2)ccc2F)nnc1

InChI

InChI=1S/C9H9FN4S/c10-8-3-1-7(2-4-8)5-15-9-13-12-6-14(9)11/h1-4,6H,5,11H2

InChI Key

JLCBZRKYKMEHMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

224.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.833

Distribution Coefficient, logD

0.833

Water Solubility, LogSw

-1.32

Polar Surface Area

42.586

Acid Dissociation Constant (pKa)

19.35

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3630-0402 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3630-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3630-0402?
Check Price and Availability of 3630-0402, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3630-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3630-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3630-0402
  • 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 3630-0402 available by request