C630-0347 Screening compound: 1-benzyl-4-{1-[3-(3-methylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

C630-0347 Screening compound: 1-benzyl-4-{1-[3-(3-methylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
C630-0347 Screening compound: 1-benzyl-4-{1-[3-(3-methylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C630-0347
1-benzyl-4-{1-[3-(3-methylphenoxy)propyl]-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

C630-0347

Molecular Formula

C28H29N3O2 (C28 H29 N3 O2)

Compound Name

1-benzyl-4-{1-[3-(3-methylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

IUPAC name

1-benzyl-4-{1-[3-(3-methylphenoxy)propyl]-1H-13-benzodiazol-2-yl}pyrrolidin-2-one

SMILES

Cc1cccc(OCCCn2c(cccc3)c3nc2C(C2)CN(Cc3ccccc3)C2=O)c1

InChI

InChI=1S/C28H29N3O2/c1-21-9-7-12-24(17-21)33-16-8-15-31-26-14-6-5-13-25(26)29-28(31)23-18-27(32)30(20-23)19-22-10-3-2-4-11-22/h2-7,9-14,17,23H,8,15-16,18-20H2,1H3/t23-/m1/s1

InChI Key

VJMXICPCJMERFH-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD05713460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.316

Distribution Coefficient, logD

5.316

Water Solubility, LogSw

-5.17

Polar Surface Area

34.487

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C630-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C630-0347?
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What is the minimum amount of C630-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C630-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C630-0347
  • 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 C630-0347 available by request