D011-0078 Screening compound: 2-{2-[1-(2-ethylphenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}-N-phenyl-N-(propan-2-yl)acetamide

D011-0078 Screening compound: 2-{2-[1-(2-ethylphenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}-N-phenyl-N-(propan-2-yl)acetamide
D011-0078 Screening compound: 2-{2-[1-(2-ethylphenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}-N-phenyl-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-0078
2-{2-[1-(2-ethylphenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}-N-phenyl-N-(propan-2-yl)acetamide

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

D011-0078

Molecular Formula

C30H32N4O2 (C30 H32 N4 O2)

Compound Name

2-{2-[1-(2-ethylphenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}-N-phenyl-N-(propan-2-yl)acetamide

IUPAC name

2-{2-[1-(2-ethylphenyl)-5-oxopyrrolidin-3-yl]-1H-13-benzodiazol-1-yl}-N-phenyl-N-(propan-2-yl)acetamide

SMILES

CCc(cccc1)c1N(CC(C1)c2nc(cccc3)c3n2CC(N(C(C)C)c2ccccc2)=O)C1=O

InChI

InChI=1S/C30H32N4O2/c1-4-22-12-8-10-16-26(22)32-19-23(18-28(32)35)30-31-25-15-9-11-17-27(25)33(30)20-29(36)34(21(2)3)24-13-6-5-7-14-24/h5-17,21,23H,4,18-20H2,1-3H3/t23-/m1/s1

InChI Key

CJYZXKQLOQWPFJ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD07440419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.500

Distribution Coefficient, logD

5.500

Water Solubility, LogSw

-5.33

Polar Surface Area

41.563

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

D011-0078 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D011-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-0078?
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What is the minimum amount of D011-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-0078
  • 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 D011-0078 available by request