C630-0176 Screening compound: 1-(2,3-dimethylphenyl)-4-[1-(2-methylprop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

C630-0176 Screening compound: 1-(2,3-dimethylphenyl)-4-[1-(2-methylprop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one
C630-0176 Screening compound: 1-(2,3-dimethylphenyl)-4-[1-(2-methylprop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C630-0176
1-(2,3-dimethylphenyl)-4-[1-(2-methylprop-2-en-1-yl)-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

C630-0176

Molecular Formula

C23H25N3O (C23 H25 N3 O)

Compound Name

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

IUPAC name

1-(23-dimethylphenyl)-4-[1-(2-methylprop-2-en-1-yl)-1H-13-benzodiazol-2-yl]pyrrolidin-2-one

SMILES

CC(Cn1c(cccc2)c2nc1C(CC1=O)CN1c1c(C)c(C)ccc1)=C

InChI

InChI=1S/C23H25N3O/c1-15(2)13-26-21-10-6-5-9-19(21)24-23(26)18-12-22(27)25(14-18)20-11-7-8-16(3)17(20)4/h5-11,18H,1,12-14H2,2-4H3/t18-/m1/s1

InChI Key

IUXXWSLIUJFAJE-GOSISDBHSA-N

MDL Number (MFCD)

MFCD05713400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

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

5.242

Distribution Coefficient, logD

5.242

Water Solubility, LogSw

-5.03

Polar Surface Area

26.616

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

C630-0176 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 C630-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C630-0176?
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What is the minimum amount of C630-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C630-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C630-0176
  • 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 C630-0176 available by request