D332-0099 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}-2-phenoxyacetamide

D332-0099 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}-2-phenoxyacetamide
D332-0099 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D332-0099
N-{2-[(azepan-1-yl)methyl]-1-propyl-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

D332-0099

Molecular Formula

C25H32N4O2 (C25 H32 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCn1c(ccc(NC(COc2ccccc2)=O)c2)c2nc1CN1CCCCCC1

InChI

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

InChI Key

WOVSNVTXFBRPOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222834

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

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.903

Distribution Coefficient, logD

4.335

Water Solubility, LogSw

-4.51

Polar Surface Area

45.834

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

D332-0099 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with D332-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D332-0099?
Check Price and Availability of D332-0099, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D332-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D332-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D332-0099
  • 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 D332-0099 available by request