C174-0099 Screening compound: N-({1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)butanamide

C174-0099 Screening compound: N-({1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)butanamide
C174-0099 Screening compound: N-({1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0099
N-({1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)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

C174-0099

Molecular Formula

C19H19ClFN3O (C19 H19 ClFN3 O)

Compound Name

N-({1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)butanamide

IUPAC name

N-({1-[(2-chloro-6-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}methyl)butanamide

SMILES

CCCC(NCc1nc(cccc2)c2n1Cc(c(F)ccc1)c1Cl)=O

InChI

InChI=1S/C19H19ClFN3O/c1-2-6-19(25)22-11-18-23-16-9-3-4-10-17(16)24(18)12-13-14(20)7-5-8-15(13)21/h3-5,7-10H,2,6,11-12H2,1H3,(H,22,25)

InChI Key

OAIMFXRIXOLMJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.353

Distribution Coefficient, logD

4.353

Water Solubility, LogSw

-4.40

Polar Surface Area

35.615

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C174-0099 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C174-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0099?
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What is the minimum amount of C174-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0099
  • 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 C174-0099 available by request