F988-0297 Screening compound: 1-(4-ethoxyphenyl)-4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-1H-1,2,3-triazol-5-amine

F988-0297 Screening compound: 1-(4-ethoxyphenyl)-4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-1H-1,2,3-triazol-5-amine
F988-0297 Screening compound: 1-(4-ethoxyphenyl)-4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-1H-1,2,3-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound F988-0297
1-(4-ethoxyphenyl)-4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-1H-1,2,3-triazol-5-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

F988-0297

Molecular Formula

C20H19N5OS (C20 H19 N5 OS)

Compound Name

1-(4-ethoxyphenyl)-4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-1H-1,2,3-triazol-5-amine

IUPAC name

1-(4-ethoxyphenyl)-4-[4-(2-methylphenyl)-13-thiazol-2-yl]-1H-123-triazol-5-amine

SMILES

CCOc(cc1)ccc1-n1nnc(-c2nc(-c3c(C)cccc3)cs2)c1N

InChI

InChI=1S/C20H19N5OS/c1-3-26-15-10-8-14(9-11-15)25-19(21)18(23-24-25)20-22-17(12-27-20)16-7-5-4-6-13(16)2/h4-12H,3,21H2,1-2H3

InChI Key

OWQULSFZWVSGTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27207922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.394

Distribution Coefficient, logD

4.394

Water Solubility, LogSw

-4.55

Polar Surface Area

62.919

Acid Dissociation Constant (pKa)

22.37

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

F988-0297 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F988-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F988-0297?
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What is the minimum amount of F988-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F988-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F988-0297
  • 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 F988-0297 available by request