C174-0234 Screening compound: 3,4,5-trimethoxy-N-{[1-(2-methylprop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]methyl}benzamide

C174-0234 Screening compound: 3,4,5-trimethoxy-N-{[1-(2-methylprop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]methyl}benzamide
C174-0234 Screening compound: 3,4,5-trimethoxy-N-{[1-(2-methylprop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0234
3,4,5-trimethoxy-N-{[1-(2-methylprop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]methyl}benzamide

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

C174-0234

Molecular Formula

C22H25N3O4 (C22 H25 N3 O4)

Compound Name

3,4,5-trimethoxy-N-{[1-(2-methylprop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]methyl}benzamide

IUPAC name

345-trimethoxy-N-{[1-(2-methylprop-2-en-1-yl)-1H-13-benzodiazol-2-yl]methyl}benzamide

SMILES

CC(Cn1c(cccc2)c2nc1CNC(c(cc1OC)cc(OC)c1OC)=O)=C

InChI

InChI=1S/C22H25N3O4/c1-14(2)13-25-17-9-7-6-8-16(17)24-20(25)12-23-22(26)15-10-18(27-3)21(29-5)19(11-15)28-4/h6-11H,1,12-13H2,2-5H3,(H,23,26)

InChI Key

GDUGBTFIQINBGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.757

Distribution Coefficient, logD

3.757

Water Solubility, LogSw

-4.08

Polar Surface Area

58.806

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C174-0234 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C174-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0234?
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What is the minimum amount of C174-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0234
  • 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 C174-0234 available by request