Y031-4989 Screening compound: N-{2-[(benzylamino)carbonyl]phenyl}-1-butyl-5-oxo-3-pyrrolidinecarboxamide

Y031-4989 Screening compound: N-{2-[(benzylamino)carbonyl]phenyl}-1-butyl-5-oxo-3-pyrrolidinecarboxamide
Y031-4989 Screening compound: N-{2-[(benzylamino)carbonyl]phenyl}-1-butyl-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4989
N-{2-[(benzylamino)carbonyl]phenyl}-1-butyl-5-oxo-3-pyrrolidinecarboxamide

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

Y031-4989

Molecular Formula

C23H27N3O3 (C23 H27 N3 O3)

Compound Name

N-{2-[(benzylamino)carbonyl]phenyl}-1-butyl-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

N-[2-(benzylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide

SMILES

CCCCN(CC(C1)C(Nc(cccc2)c2C(NCc2ccccc2)=O)=O)C1=O

InChI

InChI=1S/C23H27N3O3/c1-2-3-13-26-16-18(14-21(26)27)22(28)25-20-12-8-7-11-19(20)23(29)24-15-17-9-5-4-6-10-17/h4-12,18H,2-3,13-16H2,1H3,(H,24,29)(H,25,28)/t18-/m1/s1

InChI Key

SECMSQFLFXKRFG-GOSISDBHSA-N

MDL Number (MFCD)

MFCD08092598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.625

Distribution Coefficient, logD

2.623

Water Solubility, LogSw

-3.47

Polar Surface Area

64.491

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

References: we are preparing a list of scientific research reports with Y031-4989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4989?
Check Price and Availability of Y031-4989, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y031-4989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4989
  • 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 Y031-4989 available by request