2743-0718 Screening compound: (2E)-3-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl](2-phenylethyl)carbamoyl}prop-2-enoic acid

2743-0718 Screening compound: (2E)-3-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl](2-phenylethyl)carbamoyl}prop-2-enoic acid
2743-0718 Screening compound: (2E)-3-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl](2-phenylethyl)carbamoyl}prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2743-0718
(2E)-3-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl](2-phenylethyl)carbamoyl}prop-2-enoic 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

2743-0718

Molecular Formula

C22H19BrN2O5 (C22 H19 BrN2 O5)

Compound Name

(2E)-3-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl](2-phenylethyl)carbamoyl}prop-2-enoic acid

IUPAC name

(2E)-3-{[1-(4-bromophenyl)-25-dioxopyrrolidin-3-yl](2-phenylethyl)carbamoyl}prop-2-enoic acid

SMILES

OC(/C=C/C(N(CCc1ccccc1)C(CC(N1c(cc2)ccc2Br)=O)C1=O)=O)=O

InChI

InChI=1S/C22H19BrN2O5/c23-16-6-8-17(9-7-16)25-20(27)14-18(22(25)30)24(19(26)10-11-21(28)29)13-12-15-4-2-1-3-5-15/h1-11,18H,12-14H2,(H,28,29)/t18-/m1/s1

InChI Key

SQSHECBEQUHKAL-GOSISDBHSA-N

MDL Number (MFCD)

MFCD00759160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.534

Distribution Coefficient, logD

-1.310

Water Solubility, LogSw

-2.49

Polar Surface Area

71.993

Acid Dissociation Constant (pKa)

3.56

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

2743-0718 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2743-0718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2743-0718?
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What is the minimum amount of 2743-0718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2743-0718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2743-0718
  • 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 2743-0718 available by request