Y031-1959 Screening compound: ethyl 4-(1-cyclohexyl-5-oxopyrrolidine-3-amido)benzoate

Y031-1959 Screening compound: ethyl 4-(1-cyclohexyl-5-oxopyrrolidine-3-amido)benzoate
Y031-1959 Screening compound: ethyl 4-(1-cyclohexyl-5-oxopyrrolidine-3-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1959
ethyl 4-(1-cyclohexyl-5-oxopyrrolidine-3-amido)benzoate

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

Y031-1959

Molecular Formula

C20H26N2O4 (C20 H26 N2 O4)

Compound Name

ethyl 4-(1-cyclohexyl-5-oxopyrrolidine-3-amido)benzoate

IUPAC name

ethyl 4-(1-cyclohexyl-5-oxopyrrolidine-3-amido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(C1)CN(C2CCCCC2)C1=O)=O)=O

InChI

InChI=1S/C20H26N2O4/c1-2-26-20(25)14-8-10-16(11-9-14)21-19(24)15-12-18(23)22(13-15)17-6-4-3-5-7-17/h8-11,15,17H,2-7,12-13H2,1H3,(H,21,24)/t15-/m1/s1

InChI Key

DXGJRSLHPPWQIP-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD07067728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.107

Distribution Coefficient, logD

3.107

Water Solubility, LogSw

-3.18

Polar Surface Area

60.666

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

Y031-1959 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with Y031-1959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1959?
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What is the minimum amount of Y031-1959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1959
  • 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 Y031-1959 available by request