2339-2251 Screening compound: (2Z)-2-[(4-bromophenyl)formamido]-3-(2-fluorophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide

2339-2251 Screening compound: (2Z)-2-[(4-bromophenyl)formamido]-3-(2-fluorophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
2339-2251 Screening compound: (2Z)-2-[(4-bromophenyl)formamido]-3-(2-fluorophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2339-2251
(2Z)-2-[(4-bromophenyl)formamido]-3-(2-fluorophenyl)-N-(2-methyl-5-nitrophenyl)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

2339-2251

Molecular Formula

C23H17BrFN3O4 (C23 H17 BrFN3 O4)

Compound Name

(2Z)-2-[(4-bromophenyl)formamido]-3-(2-fluorophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide

IUPAC name

(2Z)-2-[(4-bromophenyl)formamido]-3-(2-fluorophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide

SMILES

Cc(ccc([N+]([O-])=O)c1)c1NC(/C(/NC(c(cc1)ccc1Br)=O)=C/c(cccc1)c1F)=O

InChI

InChI=1S/C23H17BrFN3O4/c1-14-6-11-18(28(31)32)13-20(14)26-23(30)21(12-16-4-2-3-5-19(16)25)27-22(29)15-7-9-17(24)10-8-15/h2-13H,1H3,(H,26,30)(H,27,29)

InChI Key

KYWSMOJVHOGJOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.250

Distribution Coefficient, logD

4.298

Water Solubility, LogSw

-5.09

Polar Surface Area

77.938

Acid Dissociation Constant (pKa)

6.50

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

2339-2251 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 2339-2251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2339-2251?
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What is the minimum amount of 2339-2251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2339-2251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2339-2251
  • 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 2339-2251 available by request