D332-0138 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}-2-phenoxyacetamide

D332-0138 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}-2-phenoxyacetamide
D332-0138 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D332-0138
N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}-2-phenoxyacetamide

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

D332-0138

Molecular Formula

C25H32N4O2 (C25 H32 N4 O2)

Compound Name

N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}-2-phenoxyacetamide

IUPAC name

N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-13-benzodiazol-5-yl}-2-phenoxyacetamide

SMILES

CC(C)n1c(ccc(NC(COc2ccccc2)=O)c2)c2nc1CN1CCCCCC1

InChI

InChI=1S/C25H32N4O2/c1-19(2)29-23-13-12-20(26-25(30)18-31-21-10-6-5-7-11-21)16-22(23)27-24(29)17-28-14-8-3-4-9-15-28/h5-7,10-13,16,19H,3-4,8-9,14-15,17-18H2,1-2H3,(H,26,30)

InChI Key

OJCOWMDWKOLJDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.697

Distribution Coefficient, logD

4.555

Water Solubility, LogSw

-4.25

Polar Surface Area

46.931

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with D332-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D332-0138?
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What is the minimum amount of D332-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D332-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D332-0138
  • 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 D332-0138 available by request