D186-0391 Screening compound: N-(2-{1-[(3-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-4-hydroxypentanamide

D186-0391 Screening compound: N-(2-{1-[(3-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-4-hydroxypentanamide
D186-0391 Screening compound: N-(2-{1-[(3-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-4-hydroxypentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D186-0391
N-(2-{1-[(3-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-4-hydroxypentanamide

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

D186-0391

Molecular Formula

C21H24ClN3O2 (C21 H24 ClN3 O2)

Compound Name

N-(2-{1-[(3-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-4-hydroxypentanamide

IUPAC name

N-(2-{1-[(3-chlorophenyl)methyl]-1H-13-benzodiazol-2-yl}ethyl)-4-hydroxypentanamide

SMILES

CC(CCC(NCCc1nc(cccc2)c2n1Cc1cccc(Cl)c1)=O)O

InChI

InChI=1S/C21H24ClN3O2/c1-15(26)9-10-21(27)23-12-11-20-24-18-7-2-3-8-19(18)25(20)14-16-5-4-6-17(22)13-16/h2-8,13,15,26H,9-12,14H2,1H3,(H,23,27)/t15-/m0/s1

InChI Key

COSHBZDFJNIBRV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD08163352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.020

Distribution Coefficient, logD

3.013

Water Solubility, LogSw

-3.31

Polar Surface Area

51.934

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

5.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D186-0391 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D186-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D186-0391?
Check Price and Availability of D186-0391, 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 D186-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D186-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D186-0391
  • 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 D186-0391 available by request