F988-0713 Screening compound: 4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazol-5-amine

F988-0713 Screening compound: 4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazol-5-amine
F988-0713 Screening compound: 4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound F988-0713
4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(5-chloro-2-methoxyphenyl)-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

F988-0713

Molecular Formula

C19H14ClN5O3S (C19 H14 ClN5 O3 S)

Compound Name

4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazol-5-amine

IUPAC name

4-[4-(2H-13-benzodioxol-5-yl)-13-thiazol-2-yl]-1-(5-chloro-2-methoxyphenyl)-1H-123-triazol-5-amine

SMILES

COc(ccc(Cl)c1)c1-n1nnc(-c2nc(-c(cc3)cc4c3OCO4)cs2)c1N

InChI

InChI=1S/C19H14ClN5O3S/c1-26-14-5-3-11(20)7-13(14)25-18(21)17(23-24-25)19-22-12(8-29-19)10-2-4-15-16(6-10)28-9-27-15/h2-8H,9,21H2,1H3

InChI Key

BWBYIDVQPYFVRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.206

Distribution Coefficient, logD

4.206

Water Solubility, LogSw

-4.60

Polar Surface Area

80.240

Acid Dissociation Constant (pKa)

22.04

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

F988-0713 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F988-0713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F988-0713?
Check Price and Availability of F988-0713, 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 F988-0713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F988-0713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F988-0713
  • 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 F988-0713 available by request