8014-5668 Screening compound: 4-amino-5-(phenoxymethyl)-4H-1,2,4-triazol-3-ylhydrosulfide

8014-5668 Screening compound: 4-amino-5-(phenoxymethyl)-4H-1,2,4-triazol-3-ylhydrosulfide
8014-5668 Screening compound: 4-amino-5-(phenoxymethyl)-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-5668
4-amino-5-(phenoxymethyl)-4H-1,2,4-triazol-3-ylhydrosulfide

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

8014-5668

Molecular Formula

C9H10N4OS (C9 H10 N4 OS)

Compound Name

4-amino-5-(phenoxymethyl)-4H-1,2,4-triazol-3-ylhydrosulfide

IUPAC name

4-amino-5-(phenoxymethyl)-4H-124-triazole-3-thiol

SMILES

Nn1c(S)nnc1COc1ccccc1

InChI

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

InChI Key

PKDBJOGLFPYJRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00269275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.473

Distribution Coefficient, logD

-0.239

Water Solubility, LogSw

-1.17

Polar Surface Area

49.360

Acid Dissociation Constant (pKa)

6.78

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8014-5668 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-5668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-5668?
Check Price and Availability of 8014-5668, 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 8014-5668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-5668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-5668
  • 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 8014-5668 available by request