C630-0353 Screening compound: 1-benzyl-4-[1-(3-phenylpropyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

C630-0353 Screening compound: 1-benzyl-4-[1-(3-phenylpropyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one
C630-0353 Screening compound: 1-benzyl-4-[1-(3-phenylpropyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C630-0353
1-benzyl-4-[1-(3-phenylpropyl)-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

C630-0353

Molecular Formula

C27H27N3O (C27 H27 N3 O)

Compound Name

1-benzyl-4-[1-(3-phenylpropyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

IUPAC name

1-benzyl-4-[1-(3-phenylpropyl)-1H-13-benzodiazol-2-yl]pyrrolidin-2-one

SMILES

O=C(C1)N(Cc2ccccc2)CC1c1nc(cccc2)c2n1CCCc1ccccc1

InChI

InChI=1S/C27H27N3O/c31-26-18-23(20-29(26)19-22-12-5-2-6-13-22)27-28-24-15-7-8-16-25(24)30(27)17-9-14-21-10-3-1-4-11-21/h1-8,10-13,15-16,23H,9,14,17-20H2/t23-/m1/s1

InChI Key

GWDYIVBVHIMSBR-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD05713461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.048

Distribution Coefficient, logD

5.048

Water Solubility, LogSw

-4.79

Polar Surface Area

27.070

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

3.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

C630-0353 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C630-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C630-0353?
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What is the minimum amount of C630-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C630-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C630-0353
  • 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 C630-0353 available by request