4391-0285 Screening compound: 2-[(2E)-2-[(4-bromophenyl)formamido]-3-(furan-2-yl)prop-2-enamido]propanoic acid

4391-0285 Screening compound: 2-[(2E)-2-[(4-bromophenyl)formamido]-3-(furan-2-yl)prop-2-enamido]propanoic acid
4391-0285 Screening compound: 2-[(2E)-2-[(4-bromophenyl)formamido]-3-(furan-2-yl)prop-2-enamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4391-0285
2-[(2E)-2-[(4-bromophenyl)formamido]-3-(furan-2-yl)prop-2-enamido]propanoic 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

4391-0285

Molecular Formula

C17H15BrN2O5 (C17 H15 BrN2 O5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H15BrN2O5/c1-10(17(23)24)19-16(22)14(9-13-3-2-8-25-13)20-15(21)11-4-6-12(18)7-5-11/h2-10H,1H3,(H,19,22)(H,20,21)(H,23,24)/t10-/m0/s1

InChI Key

KOFDFWBHYYWRPW-JTQLQIEISA-N

MDL Number (MFCD)

MFCD03139449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.580

Distribution Coefficient, logD

-1.818

Water Solubility, LogSw

-1.83

Polar Surface Area

82.168

Acid Dissociation Constant (pKa)

4.00

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

4391-0285 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 4391-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4391-0285?
Check Price and Availability of 4391-0285, 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 4391-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4391-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4391-0285
  • 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 4391-0285 available by request