D508-0115 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-4-ethoxy-N-(pyridin-2-yl)benzamide

D508-0115 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-4-ethoxy-N-(pyridin-2-yl)benzamide
D508-0115 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-4-ethoxy-N-(pyridin-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D508-0115
N-[(2-chloro-4-fluorophenyl)methyl]-4-ethoxy-N-(pyridin-2-yl)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

D508-0115

Molecular Formula

C21H18ClFN2O2 (C21 H18 ClFN2 O2)

Compound Name

N-[(2-chloro-4-fluorophenyl)methyl]-4-ethoxy-N-(pyridin-2-yl)benzamide

IUPAC name

N-[(2-chloro-4-fluorophenyl)methyl]-4-ethoxy-N-(pyridin-2-yl)benzamide

SMILES

CCOc(cc1)ccc1C(N(Cc(ccc(F)c1)c1Cl)c1ncccc1)=O

InChI

InChI=1S/C21H18ClFN2O2/c1-2-27-18-10-7-15(8-11-18)21(26)25(20-5-3-4-12-24-20)14-16-6-9-17(23)13-19(16)22/h3-13H,2,14H2,1H3

InChI Key

QHCWLKMERCWWFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18077448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.185

Distribution Coefficient, logD

5.185

Water Solubility, LogSw

-5.72

Polar Surface Area

31.224

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D508-0115 in Drug Discovery

Included in Screening Libraries

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D508-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D508-0115?
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What is the minimum amount of D508-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D508-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D508-0115
  • 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 D508-0115 available by request