D041-0006 Screening compound: 2-{2-[hydroxy(phenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(2-methoxyphenyl)acetamide

D041-0006 Screening compound: 2-{2-[hydroxy(phenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(2-methoxyphenyl)acetamide
D041-0006 Screening compound: 2-{2-[hydroxy(phenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(2-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D041-0006
2-{2-[hydroxy(phenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(2-methoxyphenyl)acetamide

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

D041-0006

Molecular Formula

C23H21N3O3 (C23 H21 N3 O3)

Compound Name

2-{2-[hydroxy(phenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(2-methoxyphenyl)acetamide

IUPAC name

2-{2-[hydroxy(phenyl)methyl]-1H-13-benzodiazol-1-yl}-N-(2-methoxyphenyl)acetamide

SMILES

COc(cccc1)c1NC(Cn1c(cccc2)c2nc1C(c1ccccc1)O)=O

InChI

InChI=1S/C23H21N3O3/c1-29-20-14-8-6-12-18(20)24-21(27)15-26-19-13-7-5-11-17(19)25-23(26)22(28)16-9-3-2-4-10-16/h2-14,22,28H,15H2,1H3,(H,24,27)/t22-/m1/s1

InChI Key

AOTLQYPKWXRFBN-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD02642222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.775

Distribution Coefficient, logD

3.775

Water Solubility, LogSw

-3.96

Polar Surface Area

55.662

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

D041-0006 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with D041-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D041-0006?
Check Price and Availability of D041-0006, 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 D041-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D041-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D041-0006
  • 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 D041-0006 available by request