8017-5122 Screening compound: N~1~-(1H-1,3-benzimidazol-2-ylmethyl)-2-(2,4-difluorophenoxy)acetamide

8017-5122 Screening compound: N~1~-(1H-1,3-benzimidazol-2-ylmethyl)-2-(2,4-difluorophenoxy)acetamide
8017-5122 Screening compound: N~1~-(1H-1,3-benzimidazol-2-ylmethyl)-2-(2,4-difluorophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5122
N~1~-(1H-1,3-benzimidazol-2-ylmethyl)-2-(2,4-difluorophenoxy)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

8017-5122

Molecular Formula

C16H13F2N3O2 (C16 H13 F2 N3 O2)

Compound Name

N~1~-(1H-1,3-benzimidazol-2-ylmethyl)-2-(2,4-difluorophenoxy)acetamide

IUPAC name

N-[(1H-13-benzodiazol-2-yl)methyl]-2-(24-difluorophenoxy)acetamide

SMILES

O=C(COc(ccc(F)c1)c1F)NCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C16H13F2N3O2/c17-10-5-6-14(11(18)7-10)23-9-16(22)19-8-15-20-12-3-1-2-4-13(12)21-15/h1-7H,8-9H2,(H,19,22)(H,20,21)

InChI Key

GCJVPPUNAGTJSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.660

Distribution Coefficient, logD

2.658

Water Solubility, LogSw

-2.97

Polar Surface Area

52.306

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8017-5122 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8017-5122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5122?
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What is the minimum amount of 8017-5122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5122
  • 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 8017-5122 available by request