8009-2385 Screening compound: 2-{[1-(4-METHOXYPHENYL)-2,5-DIOXOPYRROLIDIN-3-YL]AMINO}ACETONITRILE

8009-2385 Screening compound: 2-{[1-(4-METHOXYPHENYL)-2,5-DIOXOPYRROLIDIN-3-YL]AMINO}ACETONITRILE
8009-2385 Screening compound: 2-{[1-(4-METHOXYPHENYL)-2,5-DIOXOPYRROLIDIN-3-YL]AMINO}ACETONITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2385
2-{[1-(4-METHOXYPHENYL)-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

8009-2385

Molecular Formula

C13H13N3O3 (C13 H13 N3 O3)

Compound Name

2-{[1-(4-METHOXYPHENYL)-2,5-DIOXOPYRROLIDIN-3-YL]AMINO}ACETONITRILE

IUPAC name

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

SMILES

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

InChI

InChI=1S/C13H13N3O3/c1-19-10-4-2-9(3-5-10)16-12(17)8-11(13(16)18)15-7-6-14/h2-5,11,15H,7-8H2,1H3/t11-/m0/s1

InChI Key

WMJPVVICYJWRKE-NSHDSACASA-N

MDL Number (MFCD)

MFCD01572525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.811

Distribution Coefficient, logD

-0.811

Water Solubility, LogSw

-1.55

Polar Surface Area

66.058

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

8009-2385 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8009-2385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2385?
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What is the minimum amount of 8009-2385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2385
  • 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 8009-2385 available by request