8014-2502 Screening compound: (4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol

8014-2502 Screening compound: (4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol
8014-2502 Screening compound: (4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2502
(4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol

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

8014-2502

Molecular Formula

C9H10N4OS (C9 H10 N4 OS)

Compound Name

(4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol

IUPAC name

(4-amino-5-sulfanyl-4H-124-triazol-3-yl)(phenyl)methanol

SMILES

Nn1c(S)nnc1C(c1ccccc1)O

InChI

InChI=1S/C9H10N4OS/c10-13-8(11-12-9(13)15)7(14)6-4-2-1-3-5-6/h1-5,7,14H,10H2,(H,12,15)/t7-/m1/s1

InChI Key

XHCVHSNPTGGXAP-SSDOTTSWSA-N

MDL Number (MFCD)

MFCD03768410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.086

Distribution Coefficient, logD

-0.626

Water Solubility, LogSw

-0.68

Polar Surface Area

56.569

Acid Dissociation Constant (pKa)

6.78

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

8014-2502 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 8014-2502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2502?
Check Price and Availability of 8014-2502, 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 8014-2502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2502
  • 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 8014-2502 available by request