8010-4147 Screening compound: 1-[2-cyclohexylidene-2-(phenylformamido)acetyl]pyrrolidine-2-carboxylic acid

8010-4147 Screening compound: 1-[2-cyclohexylidene-2-(phenylformamido)acetyl]pyrrolidine-2-carboxylic acid
8010-4147 Screening compound: 1-[2-cyclohexylidene-2-(phenylformamido)acetyl]pyrrolidine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4147
1-[2-cyclohexylidene-2-(phenylformamido)acetyl]pyrrolidine-2-carboxylic 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

8010-4147

Molecular Formula

C20H24N2O4 (C20 H24 N2 O4)

Compound Name

1-[2-cyclohexylidene-2-(phenylformamido)acetyl]pyrrolidine-2-carboxylic acid

IUPAC name

1-[2-cyclohexylidene-2-(phenylformamido)acetyl]pyrrolidine-2-carboxylic acid

SMILES

OC(C(CCC1)N1C(C(NC(c1ccccc1)=O)=C1CCCCC1)=O)=O

InChI

InChI=1S/C20H24N2O4/c23-18(15-10-5-2-6-11-15)21-17(14-8-3-1-4-9-14)19(24)22-13-7-12-16(22)20(25)26/h2,5-6,10-11,16H,1,3-4,7-9,12-13H2,(H,21,23)(H,25,26)

InChI Key

DUSKWHYUEMJMSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.519

Distribution Coefficient, logD

-1.932

Water Solubility, LogSw

-2.01

Polar Surface Area

69.864

Acid Dissociation Constant (pKa)

3.95

Base Dissociation Constant (pKb)

-3.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

8010-4147 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 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 8010-4147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4147?
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What is the minimum amount of 8010-4147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4147
  • 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 8010-4147 available by request