D125-1004 Screening compound: N-{[1-(2-methylbutyl)-1H-1,3-benzodiazol-2-yl]methyl}benzamide

D125-1004 Screening compound: N-{[1-(2-methylbutyl)-1H-1,3-benzodiazol-2-yl]methyl}benzamide
D125-1004 Screening compound: N-{[1-(2-methylbutyl)-1H-1,3-benzodiazol-2-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D125-1004
N-{[1-(2-methylbutyl)-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

D125-1004

Molecular Formula

C20H23N3O (C20 H23 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)Cn1c(cccc2)c2nc1CNC(c1ccccc1)=O

InChI

InChI=1S/C20H23N3O/c1-3-15(2)14-23-18-12-8-7-11-17(18)22-19(23)13-21-20(24)16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,21,24)/t15-/m0/s1

InChI Key

PMZYNPMJXVPNIZ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD07536377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.529

Distribution Coefficient, logD

4.529

Water Solubility, LogSw

-4.19

Polar Surface Area

35.828

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

2.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

D125-1004 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Nucleic Acid Ligands (8311 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D125-1004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D125-1004?
Check Price and Availability of D125-1004, 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 D125-1004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D125-1004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D125-1004
  • 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 D125-1004 available by request