Y043-8139 Screening compound: 1-methyl-N-[(1S)-2-methyl-1-(1-methyl-1H-1,3-benzimidazol-2-yl)propyl]-5-oxo-3-pyrrolidinecarboxamide

Y043-8139 Screening compound: 1-methyl-N-[(1S)-2-methyl-1-(1-methyl-1H-1,3-benzimidazol-2-yl)propyl]-5-oxo-3-pyrrolidinecarboxamide
Y043-8139 Screening compound: 1-methyl-N-[(1S)-2-methyl-1-(1-methyl-1H-1,3-benzimidazol-2-yl)propyl]-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8139
1-methyl-N-[(1S)-2-methyl-1-(1-methyl-1H-1,3-benzimidazol-2-yl)propyl]-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

Y043-8139

Molecular Formula

C18H24N4O2 (C18 H24 N4 O2)

Compound Name

1-methyl-N-[(1S)-2-methyl-1-(1-methyl-1H-1,3-benzimidazol-2-yl)propyl]-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

1-methyl-N-[(1S)-2-methyl-1-(1-methyl-1H-13-benzodiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide

SMILES

CC(C)C(c1nc(cccc2)c2n1C)NC(C(C1)CN(C)C1=O)=O

InChI

InChI=1S/C18H24N4O2/c1-11(2)16(20-18(24)12-9-15(23)21(3)10-12)17-19-13-7-5-6-8-14(13)22(17)4/h5-8,11-12,16H,9-10H2,1-4H3,(H,20,24)/t12?,16-/m0/s1

InChI Key

AURYXCNDHUNXIN-INSVYWFGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.951

Distribution Coefficient, logD

0.949

Water Solubility, LogSw

-1.68

Polar Surface Area

52.196

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

Y043-8139 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-8139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8139?
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What is the minimum amount of Y043-8139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8139
  • 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 Y043-8139 available by request