3130-1303 Screening compound: N~1~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-2-(4-chloro-2-methylphenoxy)acetamide

3130-1303 Screening compound: N~1~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-2-(4-chloro-2-methylphenoxy)acetamide
3130-1303 Screening compound: N~1~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-2-(4-chloro-2-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3130-1303
N~1~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-2-(4-chloro-2-methylphenoxy)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

3130-1303

Molecular Formula

C18H18ClN3O2 (C18 H18 ClN3 O2)

Compound Name

N~1~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-2-(4-chloro-2-methylphenoxy)acetamide

IUPAC name

N-[2-(1H-13-benzodiazol-2-yl)ethyl]-2-(4-chloro-2-methylphenoxy)acetamide

SMILES

Cc(cc(cc1)Cl)c1OCC(NCCc1nc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C18H18ClN3O2/c1-12-10-13(19)6-7-16(12)24-11-18(23)20-9-8-17-21-14-4-2-3-5-15(14)22-17/h2-7,10H,8-9,11H2,1H3,(H,20,23)(H,21,22)

InChI Key

WHCLXNRSBLPCRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02081716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.734

Distribution Coefficient, logD

3.720

Water Solubility, LogSw

-4.15

Polar Surface Area

52.147

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

3130-1303 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3130-1303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3130-1303?
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What is the minimum amount of 3130-1303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3130-1303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3130-1303
  • 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 3130-1303 available by request