C174-0612 Screening compound: N-(2-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-3,4-dimethoxybenzamide

C174-0612 Screening compound: N-(2-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-3,4-dimethoxybenzamide
C174-0612 Screening compound: N-(2-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0612
N-(2-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-3,4-dimethoxybenzamide

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

C174-0612

Molecular Formula

C25H24FN3O3 (C25 H24 FN3 O3)

Compound Name

N-(2-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-3,4-dimethoxybenzamide

IUPAC name

N-(2-{1-[(2-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}ethyl)-34-dimethoxybenzamide

SMILES

COc(ccc(C(NCCc1nc(cccc2)c2n1Cc(cccc1)c1F)=O)c1)c1OC

InChI

InChI=1S/C25H24FN3O3/c1-31-22-12-11-17(15-23(22)32-2)25(30)27-14-13-24-28-20-9-5-6-10-21(20)29(24)16-18-7-3-4-8-19(18)26/h3-12,15H,13-14,16H2,1-2H3,(H,27,30)

InChI Key

ZGXNEQUYLFSVRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.101

Distribution Coefficient, logD

4.101

Water Solubility, LogSw

-4.35

Polar Surface Area

50.659

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C174-0612 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C174-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0612?
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What is the minimum amount of C174-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0612
  • 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 C174-0612 available by request