4391-0290 Screening compound: 2-[(2E)-2-[(4-bromophenyl)formamido]-3-(furan-2-yl)prop-2-enamido]-4-(methylsulfanyl)butanoic acid

4391-0290 Screening compound: 2-[(2E)-2-[(4-bromophenyl)formamido]-3-(furan-2-yl)prop-2-enamido]-4-(methylsulfanyl)butanoic acid
4391-0290 Screening compound: 2-[(2E)-2-[(4-bromophenyl)formamido]-3-(furan-2-yl)prop-2-enamido]-4-(methylsulfanyl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4391-0290
2-[(2E)-2-[(4-bromophenyl)formamido]-3-(furan-2-yl)prop-2-enamido]-4-(methylsulfanyl)butanoic acid

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

4391-0290

Molecular Formula

C19H19BrN2O5S (C19 H19 BrN2 O5 S)

Compound Name

2-[(2E)-2-[(4-bromophenyl)formamido]-3-(furan-2-yl)prop-2-enamido]-4-(methylsulfanyl)butanoic acid

IUPAC name

2-[(2E)-2-[(4-bromophenyl)formamido]-3-(furan-2-yl)prop-2-enamido]-4-(methylsulfanyl)butanoic acid

SMILES

CSCCC(C(O)=O)NC(/C(/NC(c(cc1)ccc1Br)=O)=C\c1ccco1)=O

InChI

InChI=1S/C19H19BrN2O5S/c1-28-10-8-15(19(25)26)21-18(24)16(11-14-3-2-9-27-14)22-17(23)12-4-6-13(20)7-5-12/h2-7,9,11,15H,8,10H2,1H3,(H,21,24)(H,22,23)(H,25,26)/t15-/m0/s1

InChI Key

GWOVFJWAOGTDAQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03139135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.097

Distribution Coefficient, logD

-1.270

Water Solubility, LogSw

-2.72

Polar Surface Area

82.635

Acid Dissociation Constant (pKa)

4.03

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

4391-0290 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 4391-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4391-0290?
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What is the minimum amount of 4391-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4391-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4391-0290
  • 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 4391-0290 available by request