C630-0039 Screening compound: 1-(3-chloro-2-methylphenyl)-4-{1-[2-(2-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

C630-0039 Screening compound: 1-(3-chloro-2-methylphenyl)-4-{1-[2-(2-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
C630-0039 Screening compound: 1-(3-chloro-2-methylphenyl)-4-{1-[2-(2-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C630-0039
1-(3-chloro-2-methylphenyl)-4-{1-[2-(2-methoxyphenoxy)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

C630-0039

Molecular Formula

C27H26ClN3O3 (C27 H26 ClN3 O3)

Compound Name

1-(3-chloro-2-methylphenyl)-4-{1-[2-(2-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

IUPAC name

1-(3-chloro-2-methylphenyl)-4-{1-[2-(2-methoxyphenoxy)ethyl]-1H-13-benzodiazol-2-yl}pyrrolidin-2-one

SMILES

Cc(c(N(CC(C1)c2nc(cccc3)c3n2CCOc(cccc2)c2OC)C1=O)ccc1)c1Cl

InChI

InChI=1S/C27H26ClN3O3/c1-18-20(28)8-7-11-22(18)31-17-19(16-26(31)32)27-29-21-9-3-4-10-23(21)30(27)14-15-34-25-13-6-5-12-24(25)33-2/h3-13,19H,14-17H2,1-2H3/t19-/m1/s1

InChI Key

VMMLEXHAISGWAV-LJQANCHMSA-N

MDL Number (MFCD)

MFCD05897958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.679

Distribution Coefficient, logD

5.679

Water Solubility, LogSw

-5.79

Polar Surface Area

41.458

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with C630-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C630-0039?
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What is the minimum amount of C630-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C630-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C630-0039
  • 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 C630-0039 available by request