4735-0107 Screening compound: 4-[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-bromophenyl)formamido]prop-2-enamido]butanoic acid

4735-0107 Screening compound: 4-[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-bromophenyl)formamido]prop-2-enamido]butanoic acid
4735-0107 Screening compound: 4-[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-bromophenyl)formamido]prop-2-enamido]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4735-0107
4-[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-bromophenyl)formamido]prop-2-enamido]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

4735-0107

Molecular Formula

C21H19BrN2O6 (C21 H19 BrN2 O6)

Compound Name

4-[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-bromophenyl)formamido]prop-2-enamido]butanoic acid

IUPAC name

4-[(2E)-3-(2H-13-benzodioxol-5-yl)-2-[(2-bromophenyl)formamido]prop-2-enamido]butanoic acid

SMILES

OC(CCCNC(/C(/NC(c(cccc1)c1Br)=O)=C\c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C21H19BrN2O6/c22-15-5-2-1-4-14(15)20(27)24-16(21(28)23-9-3-6-19(25)26)10-13-7-8-17-18(11-13)30-12-29-17/h1-2,4-5,7-8,10-11H,3,6,9,12H2,(H,23,28)(H,24,27)(H,25,26)

InChI Key

BOIUKKRQCKEKHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.029

Distribution Coefficient, logD

-0.792

Water Solubility, LogSw

-2.91

Polar Surface Area

92.189

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

4735-0107 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 4735-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4735-0107?
Check Price and Availability of 4735-0107, 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 4735-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4735-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4735-0107
  • 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 4735-0107 available by request