Y031-5316 Screening compound: methyl 2-[4-(1-butyl-5-oxopyrrolidine-3-amido)benzamido]benzoate

Y031-5316 Screening compound: methyl 2-[4-(1-butyl-5-oxopyrrolidine-3-amido)benzamido]benzoate
Y031-5316 Screening compound: methyl 2-[4-(1-butyl-5-oxopyrrolidine-3-amido)benzamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5316
methyl 2-[4-(1-butyl-5-oxopyrrolidine-3-amido)benzamido]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

Y031-5316

Molecular Formula

C24H27N3O5 (C24 H27 N3 O5)

Compound Name

methyl 2-[4-(1-butyl-5-oxopyrrolidine-3-amido)benzamido]benzoate

IUPAC name

methyl 2-[4-(1-butyl-5-oxopyrrolidine-3-amido)benzamido]benzoate

SMILES

CCCCN(CC(C1)C(Nc(cc2)ccc2C(Nc(cccc2)c2C(OC)=O)=O)=O)C1=O

InChI

InChI=1S/C24H27N3O5/c1-3-4-13-27-15-17(14-21(27)28)23(30)25-18-11-9-16(10-12-18)22(29)26-20-8-6-5-7-19(20)24(31)32-2/h5-12,17H,3-4,13-15H2,1-2H3,(H,25,30)(H,26,29)/t17-/m1/s1

InChI Key

JQKZVWZCXDOAFZ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD08598354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.555

Distribution Coefficient, logD

2.081

Water Solubility, LogSw

-3.13

Polar Surface Area

84.343

Acid Dissociation Constant (pKa)

7.10

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with Y031-5316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5316?
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What is the minimum amount of Y031-5316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5316
  • 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 Y031-5316 available by request