4073-0050 Screening compound: 1-(4-chlorophenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole

4073-0050 Screening compound: 1-(4-chlorophenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole
4073-0050 Screening compound: 1-(4-chlorophenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4073-0050
1-(4-chlorophenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole

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

4073-0050

Molecular Formula

C17H16ClN3O3 (C17 H16 ClN3 O3)

Compound Name

1-(4-chlorophenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole

IUPAC name

1-(4-chlorophenyl)-5-(345-trimethoxyphenyl)-1H-124-triazole

SMILES

COc1cc(-c2ncnn2-c(cc2)ccc2Cl)cc(OC)c1OC

InChI

InChI=1S/C17H16ClN3O3/c1-22-14-8-11(9-15(23-2)16(14)24-3)17-19-10-20-21(17)13-6-4-12(18)5-7-13/h4-10H,1-3H3

InChI Key

MCXPNOJVQICYNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01308409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.538

Distribution Coefficient, logD

3.538

Water Solubility, LogSw

-3.84

Polar Surface Area

47.808

Acid Dissociation Constant (pKa)

32.86

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4073-0050 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4073-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4073-0050?
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What is the minimum amount of 4073-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4073-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4073-0050
  • 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 4073-0050 available by request