2260-0278 Screening compound: (2E)-3-{[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}prop-2-enoic acid

2260-0278 Screening compound: (2E)-3-{[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}prop-2-enoic acid
2260-0278 Screening compound: (2E)-3-{[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2260-0278
(2E)-3-{[3,5-bis(methoxycarbonyl)phenyl]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

2260-0278

Molecular Formula

C14H13NO7 (C14 H13 NO7)

Compound Name

(2E)-3-{[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}prop-2-enoic acid

IUPAC name

(2E)-3-{[35-bis(methoxycarbonyl)phenyl]carbamoyl}prop-2-enoic acid

SMILES

COC(c1cc(C(OC)=O)cc(NC(/C=C/C(O)=O)=O)c1)=O

InChI

InChI=1S/C14H13NO7/c1-21-13(19)8-5-9(14(20)22-2)7-10(6-8)15-11(16)3-4-12(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18)

InChI Key

MQDKTNLPPBONNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01243801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.26

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.023

Distribution Coefficient, logD

-2.436

Water Solubility, LogSw

-2.42

Polar Surface Area

94.119

Acid Dissociation Constant (pKa)

2.94

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

2260-0278 in Drug Discovery

Included in Screening Libraries

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 2260-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2260-0278?
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What is the minimum amount of 2260-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2260-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2260-0278
  • 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 2260-0278 available by request