D347-4232 Screening compound: 1-butyl-4-[1-(prop-2-yn-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

D347-4232 Screening compound: 1-butyl-4-[1-(prop-2-yn-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one
D347-4232 Screening compound: 1-butyl-4-[1-(prop-2-yn-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-4232
1-butyl-4-[1-(prop-2-yn-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

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

D347-4232

Molecular Formula

C18H21N3O (C18 H21 N3 O)

Compound Name

1-butyl-4-[1-(prop-2-yn-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

IUPAC name

1-butyl-4-[1-(prop-2-yn-1-yl)-1H-13-benzodiazol-2-yl]pyrrolidin-2-one

SMILES

CCCCN(CC(C1)c2nc(cccc3)c3n2CC#C)C1=O

InChI

InChI=1S/C18H21N3O/c1-3-5-11-20-13-14(12-17(20)22)18-19-15-8-6-7-9-16(15)21(18)10-4-2/h2,6-9,14H,3,5,10-13H2,1H3/t14-/m1/s1

InChI Key

GVCTWIUPWLNSHX-CQSZACIVSA-N

MDL Number (MFCD)

MFCD10548710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.177

Distribution Coefficient, logD

3.175

Water Solubility, LogSw

-3.00

Polar Surface Area

27.591

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

D347-4232 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D347-4232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-4232?
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What is the minimum amount of D347-4232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-4232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-4232
  • 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 D347-4232 available by request