D332-0128 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}-4-nitrobenzamide

D332-0128 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}-4-nitrobenzamide
D332-0128 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D332-0128
N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}-4-nitrobenzamide

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

D332-0128

Molecular Formula

C24H29N5O3 (C24 H29 N5 O3)

Compound Name

N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}-4-nitrobenzamide

IUPAC name

N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-13-benzodiazol-5-yl}-4-nitrobenzamide

SMILES

CC(C)n1c(ccc(NC(c(cc2)ccc2[N+]([O-])=O)=O)c2)c2nc1CN1CCCCCC1

InChI

InChI=1S/C24H29N5O3/c1-17(2)28-22-12-9-19(25-24(30)18-7-10-20(11-8-18)29(31)32)15-21(22)26-23(28)16-27-13-5-3-4-6-14-27/h7-12,15,17H,3-6,13-14,16H2,1-2H3,(H,25,30)

InChI Key

LUTUJDNLMBYFTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.617

Distribution Coefficient, logD

4.475

Water Solubility, LogSw

-4.26

Polar Surface Area

73.027

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with D332-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D332-0128?
Check Price and Availability of D332-0128, 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 D332-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D332-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D332-0128
  • 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 D332-0128 available by request