1309-1902 Screening compound: (2Z)-N-benzyl-2-[(4-bromophenyl)formamido]-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide

1309-1902 Screening compound: (2Z)-N-benzyl-2-[(4-bromophenyl)formamido]-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide
1309-1902 Screening compound: (2Z)-N-benzyl-2-[(4-bromophenyl)formamido]-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-1902
(2Z)-N-benzyl-2-[(4-bromophenyl)formamido]-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide

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

1309-1902

Molecular Formula

C32H24BrFN4O2 (C32 H24 BrFN4 O2)

Compound Name

(2Z)-N-benzyl-2-[(4-bromophenyl)formamido]-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide

IUPAC name

(2Z)-N-benzyl-2-[(4-bromophenyl)formamido]-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide

SMILES

O=C(/C(/NC(c(cc1)ccc1Br)=O)=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1F)NCc1ccccc1

InChI

InChI=1S/C32H24BrFN4O2/c33-26-15-11-24(12-16-26)31(39)36-29(32(40)35-20-22-7-3-1-4-8-22)19-25-21-38(28-9-5-2-6-10-28)37-30(25)23-13-17-27(34)18-14-23/h1-19,21H,20H2,(H,35,40)(H,36,39)

InChI Key

SVLPBVLAVISBLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00651851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

595.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.358

Distribution Coefficient, logD

5.038

Water Solubility, LogSw

-6.01

Polar Surface Area

61.209

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.10

1309-1902 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1309-1902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-1902?
Check Price and Availability of 1309-1902, 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 1309-1902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-1902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-1902
  • 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 1309-1902 available by request