C174-0562 Screening compound: N-(2-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)butanamide

C174-0562 Screening compound: N-(2-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)butanamide
C174-0562 Screening compound: N-(2-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0562
N-(2-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)butanamide

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

C174-0562

Molecular Formula

C21H25N3O (C21 H25 N3 O)

Compound Name

N-(2-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)butanamide

IUPAC name

N-(2-{1-[(2-methylphenyl)methyl]-1H-13-benzodiazol-2-yl}ethyl)butanamide

SMILES

CCCC(NCCc1nc(cccc2)c2n1Cc1c(C)cccc1)=O

InChI

InChI=1S/C21H25N3O/c1-3-8-21(25)22-14-13-20-23-18-11-6-7-12-19(18)24(20)15-17-10-5-4-9-16(17)2/h4-7,9-12H,3,8,13-15H2,1-2H3,(H,22,25)

InChI Key

FRAOHBUUOALLFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.186

Distribution Coefficient, logD

4.149

Water Solubility, LogSw

-4.06

Polar Surface Area

35.456

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C174-0562 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with C174-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0562?
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What is the minimum amount of C174-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0562
  • 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 C174-0562 available by request