F988-0730 Screening compound: 4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(4-bromo-2-fluorophenyl)-1H-1,2,3-triazol-5-amine

F988-0730 Screening compound: 4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(4-bromo-2-fluorophenyl)-1H-1,2,3-triazol-5-amine
F988-0730 Screening compound: 4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(4-bromo-2-fluorophenyl)-1H-1,2,3-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound F988-0730
4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(4-bromo-2-fluorophenyl)-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

F988-0730

Molecular Formula

C18H11BrFN5O2S (C18 H11 BrFN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Nc1c(-c2nc(-c(cc3)cc4c3OCO4)cs2)nnn1-c(ccc(Br)c1)c1F

InChI

InChI=1S/C18H11BrFN5O2S/c19-10-2-3-13(11(20)6-10)25-17(21)16(23-24-25)18-22-12(7-28-18)9-1-4-14-15(5-9)27-8-26-14/h1-7H,8,21H2

InChI Key

JOIWEZJFZHGSFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.568

Distribution Coefficient, logD

4.568

Water Solubility, LogSw

-4.73

Polar Surface Area

72.609

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

F988-0730 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with F988-0730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F988-0730?
Check Price and Availability of F988-0730, 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 F988-0730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F988-0730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F988-0730
  • 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 F988-0730 available by request