8013-8019 Screening compound: 4-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-ylhydrosulfide

8013-8019 Screening compound: 4-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-ylhydrosulfide
8013-8019 Screening compound: 4-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-8019
4-(2-methoxyphenyl)-5-(4-methoxyphenyl)-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

8013-8019

Molecular Formula

C16H15N3O2S (C16 H15 N3 O2 S)

Compound Name

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

IUPAC name

4-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4H-124-triazole-3-thiol

SMILES

COc(cc1)ccc1-c(n1-c(cccc2)c2OC)nnc1S

InChI

InChI=1S/C16H15N3O2S/c1-20-12-9-7-11(8-10-12)15-17-18-16(22)19(15)13-5-3-4-6-14(13)21-2/h3-10H,1-2H3,(H,18,22)

InChI Key

YEWUVIGBBFPVCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02854402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.076

Distribution Coefficient, logD

1.533

Water Solubility, LogSw

-3.27

Polar Surface Area

38.331

Acid Dissociation Constant (pKa)

5.87

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8013-8019 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 8013-8019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-8019?
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What is the minimum amount of 8013-8019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-8019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-8019
  • 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 8013-8019 available by request