D332-0116 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}pentanamide

D332-0116 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}pentanamide
D332-0116 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D332-0116
N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}pentanamide

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

D332-0116

Molecular Formula

C22H34N4O (C22 H34 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CCCCC(Nc(cc1)cc2c1n(C(C)C)c(CN1CCCCCC1)n2)=O

InChI

InChI=1S/C22H34N4O/c1-4-5-10-22(27)23-18-11-12-20-19(15-18)24-21(26(20)17(2)3)16-25-13-8-6-7-9-14-25/h11-12,15,17H,4-10,13-14,16H2,1-3H3,(H,23,27)

InChI Key

LELXBMJKLRSANW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.380

Distribution Coefficient, logD

4.238

Water Solubility, LogSw

-4.12

Polar Surface Area

39.703

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

D332-0116 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D332-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D332-0116?
Check Price and Availability of D332-0116, 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 D332-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D332-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D332-0116
  • 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 D332-0116 available by request