Y031-7124 Screening compound: 1-tert-butyl-N-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide

Y031-7124 Screening compound: 1-tert-butyl-N-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
Y031-7124 Screening compound: 1-tert-butyl-N-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-7124
1-tert-butyl-N-(2,3-dihydro-1H-inden-5-yl)-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

Y031-7124

Molecular Formula

C18H24N2O2 (C18 H24 N2 O2)

Compound Name

1-tert-butyl-N-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-tert-butyl-N-(23-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide

SMILES

CC(C)(C)N(CC(C1)C(Nc2cc(CCC3)c3cc2)=O)C1=O

InChI

InChI=1S/C18H24N2O2/c1-18(2,3)20-11-14(10-16(20)21)17(22)19-15-8-7-12-5-4-6-13(12)9-15/h7-9,14H,4-6,10-11H2,1-3H3,(H,19,22)/t14-/m1/s1

InChI Key

KVBUTYRAJACPKG-CQSZACIVSA-N

MDL Number (MFCD)

MFCD08069978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.505

Distribution Coefficient, logD

2.505

Water Solubility, LogSw

-2.91

Polar Surface Area

41.333

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

Y031-7124 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)

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y031-7124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-7124?
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What is the minimum amount of Y031-7124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-7124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-7124
  • 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 Y031-7124 available by request