C630-0380 Screening compound: 1-(3,5-dimethylphenyl)-4-{1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

C630-0380 Screening compound: 1-(3,5-dimethylphenyl)-4-{1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
C630-0380 Screening compound: 1-(3,5-dimethylphenyl)-4-{1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C630-0380
1-(3,5-dimethylphenyl)-4-{1-[2-(2-methylphenoxy)ethyl]-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

C630-0380

Molecular Formula

C28H29N3O2 (C28 H29 N3 O2)

Compound Name

1-(3,5-dimethylphenyl)-4-{1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

IUPAC name

1-(35-dimethylphenyl)-4-{1-[2-(2-methylphenoxy)ethyl]-1H-13-benzodiazol-2-yl}pyrrolidin-2-one

SMILES

Cc1cc(N(CC(C2)c3nc(cccc4)c4n3CCOc3c(C)cccc3)C2=O)cc(C)c1

InChI

InChI=1S/C28H29N3O2/c1-19-14-20(2)16-23(15-19)31-18-22(17-27(31)32)28-29-24-9-5-6-10-25(24)30(28)12-13-33-26-11-7-4-8-21(26)3/h4-11,14-16,22H,12-13,17-18H2,1-3H3/t22-/m1/s1

InChI Key

JXAOVSYESIPEFJ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD05713463

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

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.362

Distribution Coefficient, logD

6.362

Water Solubility, LogSw

-5.45

Polar Surface Area

34.128

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C630-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C630-0380?
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What is the minimum amount of C630-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C630-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C630-0380
  • 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 C630-0380 available by request