2743-1134 Screening compound: 2-{[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino}acetonitrile

2743-1134 Screening compound: 2-{[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino}acetonitrile
2743-1134 Screening compound: 2-{[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino}acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2743-1134
2-{[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino}acetonitrile

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

2743-1134

Molecular Formula

C14H15N3O3 (C14 H15 N3 O3)

Compound Name

2-{[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino}acetonitrile

IUPAC name

2-{[1-(4-ethoxyphenyl)-25-dioxopyrrolidin-3-yl]amino}acetonitrile

SMILES

CCOc(cc1)ccc1N(C(CC1NCC#N)=O)C1=O

InChI

InChI=1S/C14H15N3O3/c1-2-20-11-5-3-10(4-6-11)17-13(18)9-12(14(17)19)16-8-7-15/h3-6,12,16H,2,8-9H2,1H3/t12-/m0/s1

InChI Key

LNKOACNOJFAKRD-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD01625757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.425

Distribution Coefficient, logD

-0.425

Water Solubility, LogSw

-1.76

Polar Surface Area

65.638

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

2743-1134 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 2743-1134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2743-1134?
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What is the minimum amount of 2743-1134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2743-1134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2743-1134
  • 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 2743-1134 available by request