D011-6271 Screening compound: 1-(3,5-dimethylphenyl)-4-{1-[(2E)-3-phenylprop-2-en-1-yl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

D011-6271 Screening compound: 1-(3,5-dimethylphenyl)-4-{1-[(2E)-3-phenylprop-2-en-1-yl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
D011-6271 Screening compound: 1-(3,5-dimethylphenyl)-4-{1-[(2E)-3-phenylprop-2-en-1-yl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-6271
1-(3,5-dimethylphenyl)-4-{1-[(2E)-3-phenylprop-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

D011-6271

Molecular Formula

C28H27N3O (C28 H27 N3 O)

Compound Name

1-(3,5-dimethylphenyl)-4-{1-[(2E)-3-phenylprop-2-en-1-yl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

IUPAC name

1-(35-dimethylphenyl)-4-{1-[(2E)-3-phenylprop-2-en-1-yl]-1H-13-benzodiazol-2-yl}pyrrolidin-2-one

SMILES

Cc1cc(N(CC(C2)c3nc(cccc4)c4n3C/C=C/c3ccccc3)C2=O)cc(C)c1

InChI

InChI=1S/C28H27N3O/c1-20-15-21(2)17-24(16-20)31-19-23(18-27(31)32)28-29-25-12-6-7-13-26(25)30(28)14-8-11-22-9-4-3-5-10-22/h3-13,15-17,23H,14,18-19H2,1-2H3/t23-/m1/s1

InChI Key

CIEFLHQSSQOJIJ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD07477199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.54

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

6.427

Distribution Coefficient, logD

6.427

Water Solubility, LogSw

-5.59

Polar Surface Area

26.624

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with D011-6271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-6271?
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What is the minimum amount of D011-6271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-6271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-6271
  • 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 D011-6271 available by request