D508-0027 Screening compound: N-[(3-fluorophenyl)methyl]-3,4,5-trimethoxy-N-(pyridin-2-yl)benzamide

D508-0027 Screening compound: N-[(3-fluorophenyl)methyl]-3,4,5-trimethoxy-N-(pyridin-2-yl)benzamide
D508-0027 Screening compound: N-[(3-fluorophenyl)methyl]-3,4,5-trimethoxy-N-(pyridin-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D508-0027
N-[(3-fluorophenyl)methyl]-3,4,5-trimethoxy-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

D508-0027

Molecular Formula

C22H21FN2O4 (C22 H21 FN2 O4)

Compound Name

N-[(3-fluorophenyl)methyl]-3,4,5-trimethoxy-N-(pyridin-2-yl)benzamide

IUPAC name

N-[(3-fluorophenyl)methyl]-345-trimethoxy-N-(pyridin-2-yl)benzamide

SMILES

COc1cc(C(N(Cc2cccc(F)c2)c2ncccc2)=O)cc(OC)c1OC

InChI

InChI=1S/C22H21FN2O4/c1-27-18-12-16(13-19(28-2)21(18)29-3)22(26)25(20-9-4-5-10-24-20)14-15-7-6-8-17(23)11-15/h4-13H,14H2,1-3H3

InChI Key

OCXZTIALZPRZTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18076955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.929

Distribution Coefficient, logD

3.928

Water Solubility, LogSw

-4.05

Polar Surface Area

47.079

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D508-0027 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with D508-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D508-0027?
Check Price and Availability of D508-0027, 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 D508-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D508-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D508-0027
  • 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 D508-0027 available by request