D332-0006 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-3-methylbutanamide

D332-0006 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-3-methylbutanamide
D332-0006 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D332-0006
N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-3-methylbutanamide

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

D332-0006

Molecular Formula

C21H32N4O (C21 H32 N4 O)

Compound Name

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

IUPAC name

N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-13-benzodiazol-5-yl}-3-methylbutanamide

SMILES

CCn1c(ccc(NC(CC(C)C)=O)c2)c2nc1CN1CCCCCC1

InChI

InChI=1S/C21H32N4O/c1-4-25-19-10-9-17(22-21(26)13-16(2)3)14-18(19)23-20(25)15-24-11-7-5-6-8-12-24/h9-10,14,16H,4-8,11-13,15H2,1-3H3,(H,22,26)

InChI Key

SLMLNPOQJXGQFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.238

Distribution Coefficient, logD

4.057

Water Solubility, LogSw

-4.00

Polar Surface Area

38.352

Acid Dissociation Constant (pKa)

12.10

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

References: we are preparing a list of scientific research reports with D332-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D332-0006?
Check Price and Availability of D332-0006, 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 D332-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D332-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D332-0006
  • 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 D332-0006 available by request