Y031-5125 Screening compound: N-{4-[4-(azepane-1-carbonyl)-2-oxopyrrolidin-1-yl]phenyl}acetamide

Y031-5125 Screening compound: N-{4-[4-(azepane-1-carbonyl)-2-oxopyrrolidin-1-yl]phenyl}acetamide
Y031-5125 Screening compound: N-{4-[4-(azepane-1-carbonyl)-2-oxopyrrolidin-1-yl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5125
N-{4-[4-(azepane-1-carbonyl)-2-oxopyrrolidin-1-yl]phenyl}acetamide

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

Y031-5125

Molecular Formula

C19H25N3O3 (C19 H25 N3 O3)

Compound Name

N-{4-[4-(azepane-1-carbonyl)-2-oxopyrrolidin-1-yl]phenyl}acetamide

IUPAC name

N-{4-[4-(azepane-1-carbonyl)-2-oxopyrrolidin-1-yl]phenyl}acetamide

SMILES

CC(Nc(cc1)ccc1N(CC(C1)C(N2CCCCCC2)=O)C1=O)=O

InChI

InChI=1S/C19H25N3O3/c1-14(23)20-16-6-8-17(9-7-16)22-13-15(12-18(22)24)19(25)21-10-4-2-3-5-11-21/h6-9,15H,2-5,10-13H2,1H3,(H,20,23)/t15-/m1/s1

InChI Key

TWKWINGWGNPFRD-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD08130325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.504

Distribution Coefficient, logD

1.504

Water Solubility, LogSw

-2.07

Polar Surface Area

57.230

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

Y031-5125 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y031-5125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5125?
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What is the minimum amount of Y031-5125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5125
  • 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 Y031-5125 available by request