D011-0971 Screening compound: 1-(2-ethoxyphenyl)-4-(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one

D011-0971 Screening compound: 1-(2-ethoxyphenyl)-4-(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one
D011-0971 Screening compound: 1-(2-ethoxyphenyl)-4-(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-0971
1-(2-ethoxyphenyl)-4-(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-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

D011-0971

Molecular Formula

C31H35N3O3 (C31 H35 N3 O3)

Compound Name

1-(2-ethoxyphenyl)-4-(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one

IUPAC name

1-(2-ethoxyphenyl)-4-(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-13-benzodiazol-2-yl)pyrrolidin-2-one

SMILES

CCOc(cccc1)c1N(CC(C1)c2nc(cccc3)c3n2CCOc2c(C(C)C)ccc(C)c2)C1=O

InChI

InChI=1S/C31H35N3O3/c1-5-36-28-13-9-8-12-27(28)34-20-23(19-30(34)35)31-32-25-10-6-7-11-26(25)33(31)16-17-37-29-18-22(4)14-15-24(29)21(2)3/h6-15,18,21,23H,5,16-17,19-20H2,1-4H3/t23-/m1/s1

InChI Key

JPGCJDRQZAUYCP-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD07441238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.953

Distribution Coefficient, logD

6.953

Water Solubility, LogSw

-5.53

Polar Surface Area

41.037

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.50

D011-0971 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D011-0971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-0971?
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What is the minimum amount of D011-0971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-0971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-0971
  • 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 D011-0971 available by request