Y031-6561 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide

Y031-6561 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
Y031-6561 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6561
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide

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

Y031-6561

Molecular Formula

C23H23ClN4O3 (C23 H23 ClN4 O3)

Compound Name

1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

CC(Nc1cccc(NC(C(C2)CN(CCc3c[nH]c(cc4)c3cc4Cl)C2=O)=O)c1)=O

InChI

InChI=1S/C23H23ClN4O3/c1-14(29)26-18-3-2-4-19(11-18)27-23(31)16-9-22(30)28(13-16)8-7-15-12-25-21-6-5-17(24)10-20(15)21/h2-6,10-12,16,25H,7-9,13H2,1H3,(H,26,29)(H,27,31)/t16-/m1/s1

InChI Key

RKROIFVGXKNDPC-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD09427684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.077

Distribution Coefficient, logD

2.077

Water Solubility, LogSw

-3.05

Polar Surface Area

73.636

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with Y031-6561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6561?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6561
  • 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 Y031-6561 available by request