D427-0467 Screening compound: N-(3-chloro-4-methylphenyl)-2-ethoxy-N-[(thiophen-2-yl)methyl]benzamide

D427-0467 Screening compound: N-(3-chloro-4-methylphenyl)-2-ethoxy-N-[(thiophen-2-yl)methyl]benzamide
D427-0467 Screening compound: N-(3-chloro-4-methylphenyl)-2-ethoxy-N-[(thiophen-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D427-0467
N-(3-chloro-4-methylphenyl)-2-ethoxy-N-[(thiophen-2-yl)methyl]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

D427-0467

Molecular Formula

C21H20ClNO2S (C21 H20 ClNO2 S)

Compound Name

N-(3-chloro-4-methylphenyl)-2-ethoxy-N-[(thiophen-2-yl)methyl]benzamide

IUPAC name

N-(3-chloro-4-methylphenyl)-2-ethoxy-N-[(thiophen-2-yl)methyl]benzamide

SMILES

CCOc(cccc1)c1C(N(Cc1cccs1)c1cc(Cl)c(C)cc1)=O

InChI

InChI=1S/C21H20ClNO2S/c1-3-25-20-9-5-4-8-18(20)21(24)23(14-17-7-6-12-26-17)16-11-10-15(2)19(22)13-16/h4-13H,3,14H2,1-2H3

InChI Key

GKMXNPYUYHHPNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12917581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.91

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.975

Distribution Coefficient, logD

5.975

Water Solubility, LogSw

-5.94

Polar Surface Area

23.818

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D427-0467 in Drug Discovery

Included in Screening Libraries

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

STING Agonist Library (5895 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D427-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D427-0467?
Check Price and Availability of D427-0467, 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 D427-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D427-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D427-0467
  • 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 D427-0467 available by request