C630-0008 Screening compound: 1-(2,4-dimethylphenyl)-4-[1-(2-methylpropyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

C630-0008 Screening compound: 1-(2,4-dimethylphenyl)-4-[1-(2-methylpropyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one
C630-0008 Screening compound: 1-(2,4-dimethylphenyl)-4-[1-(2-methylpropyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C630-0008
1-(2,4-dimethylphenyl)-4-[1-(2-methylpropyl)-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

C630-0008

Molecular Formula

C23H27N3O (C23 H27 N3 O)

Compound Name

1-(2,4-dimethylphenyl)-4-[1-(2-methylpropyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

IUPAC name

1-(24-dimethylphenyl)-4-[1-(2-methylpropyl)-1H-13-benzodiazol-2-yl]pyrrolidin-2-one

SMILES

CC(C)Cn1c(cccc2)c2nc1C(CC1=O)CN1c1c(C)cc(C)cc1

InChI

InChI=1S/C23H27N3O/c1-15(2)13-26-21-8-6-5-7-19(21)24-23(26)18-12-22(27)25(14-18)20-10-9-16(3)11-17(20)4/h5-11,15,18H,12-14H2,1-4H3/t18-/m1/s1

InChI Key

GMPNVJDECZZXND-GOSISDBHSA-N

MDL Number (MFCD)

MFCD05713345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.550

Distribution Coefficient, logD

5.550

Water Solubility, LogSw

-5.31

Polar Surface Area

26.616

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

C630-0008 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C630-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C630-0008?
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What is the minimum amount of C630-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C630-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C630-0008
  • 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 C630-0008 available by request