C174-0110 Screening compound: N-({1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)acetamide

C174-0110 Screening compound: N-({1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)acetamide
C174-0110 Screening compound: N-({1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0110
N-({1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)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

C174-0110

Molecular Formula

C19H21N3O (C19 H21 N3 O)

Compound Name

N-({1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)acetamide

IUPAC name

N-({1-[(25-dimethylphenyl)methyl]-1H-13-benzodiazol-2-yl}methyl)acetamide

SMILES

CC(NCc1nc(cccc2)c2n1Cc1c(C)ccc(C)c1)=O

InChI

InChI=1S/C19H21N3O/c1-13-8-9-14(2)16(10-13)12-22-18-7-5-4-6-17(18)21-19(22)11-20-15(3)23/h4-10H,11-12H2,1-3H3,(H,20,23)

InChI Key

NFVUCIDEFFIWQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.466

Distribution Coefficient, logD

3.462

Water Solubility, LogSw

-3.55

Polar Surface Area

35.727

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C174-0110 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

BRD4 Targeted Library (4534 compounds)

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C174-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0110?
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What is the minimum amount of C174-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0110
  • 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 C174-0110 available by request