D125-0967 Screening compound: N-{[1-(4-phenoxybutyl)-1H-1,3-benzodiazol-2-yl]methyl}benzamide

D125-0967 Screening compound: N-{[1-(4-phenoxybutyl)-1H-1,3-benzodiazol-2-yl]methyl}benzamide
D125-0967 Screening compound: N-{[1-(4-phenoxybutyl)-1H-1,3-benzodiazol-2-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D125-0967
N-{[1-(4-phenoxybutyl)-1H-1,3-benzodiazol-2-yl]methyl}benzamide

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

D125-0967

Molecular Formula

C25H25N3O2 (C25 H25 N3 O2)

Compound Name

N-{[1-(4-phenoxybutyl)-1H-1,3-benzodiazol-2-yl]methyl}benzamide

IUPAC name

N-{[1-(4-phenoxybutyl)-1H-13-benzodiazol-2-yl]methyl}benzamide

SMILES

O=C(c1ccccc1)NCc1nc(cccc2)c2n1CCCCOc1ccccc1

InChI

InChI=1S/C25H25N3O2/c29-25(20-11-3-1-4-12-20)26-19-24-27-22-15-7-8-16-23(22)28(24)17-9-10-18-30-21-13-5-2-6-14-21/h1-8,11-16H,9-10,17-19H2,(H,26,29)

InChI Key

MNSGRMSMUFRDPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08163311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.878

Distribution Coefficient, logD

4.878

Water Solubility, LogSw

-4.82

Polar Surface Area

42.953

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D125-0967 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D125-0967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D125-0967?
Check Price and Availability of D125-0967, 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 D125-0967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D125-0967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D125-0967
  • 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 D125-0967 available by request