3379-3157 Screening compound: 3-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]prop-2-enamido]propanoic acid

3379-3157 Screening compound: 3-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]prop-2-enamido]propanoic acid
3379-3157 Screening compound: 3-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]prop-2-enamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-3157
3-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]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

3379-3157

Molecular Formula

C20H17BrN2O6 (C20 H17 BrN2 O6)

Compound Name

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

IUPAC name

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

SMILES

OC(CCNC(/C(/NC(c(cc1)ccc1Br)=O)=C/c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C20H17BrN2O6/c21-14-4-2-13(3-5-14)19(26)23-15(20(27)22-8-7-18(24)25)9-12-1-6-16-17(10-12)29-11-28-16/h1-6,9-10H,7-8,11H2,(H,22,27)(H,23,26)(H,24,25)

InChI Key

HTYYOOHBTVRZKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02223950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.27

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.140

Distribution Coefficient, logD

-0.556

Water Solubility, LogSw

-2.85

Polar Surface Area

92.189

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3379-3157 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 3379-3157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-3157?
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What is the minimum amount of 3379-3157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-3157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-3157
  • 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 3379-3157 available by request