8017-9724 Screening compound: 4-(1-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-ylhydrosulfide

8017-9724 Screening compound: 4-(1-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-ylhydrosulfide
8017-9724 Screening compound: 4-(1-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9724
4-(1-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-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

8017-9724

Molecular Formula

C19H21N3O3S (C19 H21 N3 O3 S)

Compound Name

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

IUPAC name

4-(1-phenylethyl)-5-(345-trimethoxyphenyl)-4H-124-triazole-3-thiol

SMILES

CC(c1ccccc1)n1c(S)nnc1-c(cc1OC)cc(OC)c1OC

InChI

InChI=1S/C19H21N3O3S/c1-12(13-8-6-5-7-9-13)22-18(20-21-19(22)26)14-10-15(23-2)17(25-4)16(11-14)24-3/h5-12H,1-4H3,(H,21,26)/t12-/m0/s1

InChI Key

IWGXJYYWUBCNBP-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD06753207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.303

Distribution Coefficient, logD

2.959

Water Solubility, LogSw

-3.50

Polar Surface Area

46.388

Acid Dissociation Constant (pKa)

7.32

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

8017-9724 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8017-9724 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9724?
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What is the minimum amount of 8017-9724 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9724
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9724
  • 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 8017-9724 available by request