C630-0048 Screening compound: 1-(4-ethylphenyl)-4-[1-(2-methylprop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

C630-0048 Screening compound: 1-(4-ethylphenyl)-4-[1-(2-methylprop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one
C630-0048 Screening compound: 1-(4-ethylphenyl)-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 C630-0048
1-(4-ethylphenyl)-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

C630-0048

Molecular Formula

C23H25N3O (C23 H25 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1N(CC(C1)c2nc(cccc3)c3n2CC(C)=C)C1=O

InChI

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

InChI Key

RDVDZMNXLDPNEN-GOSISDBHSA-N

MDL Number (MFCD)

MFCD04471709

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

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.280

Distribution Coefficient, logD

5.280

Water Solubility, LogSw

-5.07

Polar Surface Area

26.917

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

C630-0048 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 C630-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C630-0048?
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What is the minimum amount of C630-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C630-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C630-0048
  • 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 C630-0048 available by request