D011-0442 Screening compound: 1-(4-chlorophenyl)-4-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

D011-0442 Screening compound: 1-(4-chlorophenyl)-4-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one
D011-0442 Screening compound: 1-(4-chlorophenyl)-4-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-0442
1-(4-chlorophenyl)-4-[1-(3-methylbutyl)-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

D011-0442

Molecular Formula

C22H24ClN3O (C22 H24 ClN3 O)

Compound Name

1-(4-chlorophenyl)-4-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

IUPAC name

1-(4-chlorophenyl)-4-[1-(3-methylbutyl)-1H-13-benzodiazol-2-yl]pyrrolidin-2-one

SMILES

CC(C)CCn1c(cccc2)c2nc1C(CC1=O)CN1c(cc1)ccc1Cl

InChI

InChI=1S/C22H24ClN3O/c1-15(2)11-12-25-20-6-4-3-5-19(20)24-22(25)16-13-21(27)26(14-16)18-9-7-17(23)8-10-18/h3-10,15-16H,11-14H2,1-2H3/t16-/m1/s1

InChI Key

ZFWPRVSTEQVCGA-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD07440747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.9

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

5.452

Distribution Coefficient, logD

5.452

Water Solubility, LogSw

-5.87

Polar Surface Area

26.895

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with D011-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-0442?
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What is the minimum amount of D011-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-0442
  • 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 D011-0442 available by request