D186-0394 Screening compound: 4-hydroxy-N-(2-{1-[(2,3,5,6-tetramethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)pentanamide

D186-0394 Screening compound: 4-hydroxy-N-(2-{1-[(2,3,5,6-tetramethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)pentanamide
D186-0394 Screening compound: 4-hydroxy-N-(2-{1-[(2,3,5,6-tetramethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D186-0394
4-hydroxy-N-(2-{1-[(2,3,5,6-tetramethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)pentanamide

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

D186-0394

Molecular Formula

C25H33N3O2 (C25 H33 N3 O2)

Compound Name

4-hydroxy-N-(2-{1-[(2,3,5,6-tetramethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)pentanamide

IUPAC name

4-hydroxy-N-(2-{1-[(2356-tetramethylphenyl)methyl]-1H-13-benzodiazol-2-yl}ethyl)pentanamide

SMILES

CC(CCC(NCCc1nc(cccc2)c2n1Cc1c(C)c(C)cc(C)c1C)=O)O

InChI

InChI=1S/C25H33N3O2/c1-16-14-17(2)20(5)21(19(16)4)15-28-23-9-7-6-8-22(23)27-24(28)12-13-26-25(30)11-10-18(3)29/h6-9,14,18,29H,10-13,15H2,1-5H3,(H,26,30)/t18-/m0/s1

InChI Key

UNMIZLOYFPSYPQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD08163350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.56

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

4.397

Distribution Coefficient, logD

4.223

Water Solubility, LogSw

-4.25

Polar Surface Area

51.934

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

D186-0394 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D186-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D186-0394?
Check Price and Availability of D186-0394, 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 D186-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D186-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D186-0394
  • 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 D186-0394 available by request