D038-0181 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide

D038-0181 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide
D038-0181 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D038-0181
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-ethyl-1-benzofuran-3-yl)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

D038-0181

Molecular Formula

C19H15ClF3NO2 (C19 H15 ClF3 NO2)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide

SMILES

CCc(cc1)cc2c1occ2CC(Nc(cc(C(F)(F)F)cc1)c1Cl)=O

InChI

InChI=1S/C19H15ClF3NO2/c1-2-11-3-6-17-14(7-11)12(10-26-17)8-18(25)24-16-9-13(19(21,22)23)4-5-15(16)20/h3-7,9-10H,2,8H2,1H3,(H,24,25)

InChI Key

QIIIYLUMRIPMLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06648177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.78

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.429

Distribution Coefficient, logD

5.314

Water Solubility, LogSw

-6.13

Polar Surface Area

31.978

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D038-0181 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with D038-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D038-0181?
Check Price and Availability of D038-0181, 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 D038-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D038-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D038-0181
  • 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 D038-0181 available by request