J021-3175 Screening compound: 3-[3-({[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

J021-3175 Screening compound: 3-[3-({[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
J021-3175 Screening compound: 3-[3-({[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-3175
3-[3-({[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

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

J021-3175

Molecular Formula

C18H16FN7O3S (C18 H16 FN7 O3 S)

Compound Name

3-[3-({[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

IUPAC name

3-[3-({[5-(4-fluorophenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-124-oxadiazol-5-yl]-N-(5-methyl-12-oxazol-3-yl)propanamide

SMILES

Cc1cc(NC(CCc2nc(CSc3nnc(-c(cc4)ccc4F)[nH]3)no2)=O)no1

InChI

InChI=1S/C18H16FN7O3S/c1-10-8-13(25-28-10)20-15(27)6-7-16-21-14(26-29-16)9-30-18-22-17(23-24-18)11-2-4-12(19)5-3-11/h2-5,8H,6-7,9H2,1H3,(H,20,25,27)(H,22,23,24)

InChI Key

WFJDQZYYGIVCEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.496

Distribution Coefficient, logD

1.295

Water Solubility, LogSw

-2.92

Polar Surface Area

109.752

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

3.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

J021-3175 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with J021-3175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-3175?
Check Price and Availability of J021-3175, 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 J021-3175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-3175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-3175
  • 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 J021-3175 available by request