8010-8450 Screening compound: N~1~-(1-ethyl-1H-1,3-benzimidazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide

8010-8450 Screening compound: N~1~-(1-ethyl-1H-1,3-benzimidazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
8010-8450 Screening compound: N~1~-(1-ethyl-1H-1,3-benzimidazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-8450
N~1~-(1-ethyl-1H-1,3-benzimidazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]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

8010-8450

Molecular Formula

C18H16F3N3O2 (C18 H16 F3 N3 O2)

Compound Name

N~1~-(1-ethyl-1H-1,3-benzimidazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide

IUPAC name

n/a

SMILES

CCn1c(NC(COc2cccc(C(F)(F)F)c2)=O)nc2c1cccc2

InChI

InChI=1S/C18H16F3N3O2/c1-2-24-15-9-4-3-8-14(15)22-17(24)23-16(25)11-26-13-7-5-6-12(10-13)18(19,20)21/h3-10H,2,11H2,1H3,(H,22,23,25)

InChI Key

MQYYKJFZMDGIFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02139921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.266

Distribution Coefficient, logD

4.266

Water Solubility, LogSw

-4.29

Polar Surface Area

42.448

Acid Dissociation Constant (pKa)

12.10

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8010-8450 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with 8010-8450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-8450?
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What is the minimum amount of 8010-8450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-8450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-8450
  • 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 8010-8450 available by request