D685-0091 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methoxyphenyl]-2-fluorobenzamide

D685-0091 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methoxyphenyl]-2-fluorobenzamide
D685-0091 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methoxyphenyl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D685-0091
N-[5-(1H-1,3-benzodiazol-2-yl)-2-methoxyphenyl]-2-fluorobenzamide

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

D685-0091

Molecular Formula

C21H16FN3O2 (C21 H16 FN3 O2)

Compound Name

N-[5-(1H-1,3-benzodiazol-2-yl)-2-methoxyphenyl]-2-fluorobenzamide

IUPAC name

N-[5-(1H-13-benzodiazol-2-yl)-2-methoxyphenyl]-2-fluorobenzamide

SMILES

COc(ccc(-c1nc(cccc2)c2[nH]1)c1)c1NC(c(cccc1)c1F)=O

InChI

InChI=1S/C21H16FN3O2/c1-27-19-11-10-13(20-23-16-8-4-5-9-17(16)24-20)12-18(19)25-21(26)14-6-2-3-7-15(14)22/h2-12H,1H3,(H,23,24)(H,25,26)

InChI Key

BVKSTAIIJHSVGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08103492

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

361.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.451

Distribution Coefficient, logD

4.448

Water Solubility, LogSw

-4.45

Polar Surface Area

49.282

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

D685-0091 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D685-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D685-0091?
Check Price and Availability of D685-0091, 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 D685-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D685-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D685-0091
  • 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 D685-0091 available by request