C301-3496 Screening compound: 1-[(4-chloro-2,5-dimethoxyphenyl)amino]-3-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)propan-2-ol

C301-3496 Screening compound: 1-[(4-chloro-2,5-dimethoxyphenyl)amino]-3-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)propan-2-ol
C301-3496 Screening compound: 1-[(4-chloro-2,5-dimethoxyphenyl)amino]-3-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3496
1-[(4-chloro-2,5-dimethoxyphenyl)amino]-3-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)propan-2-ol

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

C301-3496

Molecular Formula

C18H20ClN5O3 (C18 H20 ClN5 O3)

Compound Name

1-[(4-chloro-2,5-dimethoxyphenyl)amino]-3-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)propan-2-ol

IUPAC name

1-[(4-chloro-25-dimethoxyphenyl)amino]-3-(5-phenyl-1H-1234-tetrazol-1-yl)propan-2-ol

SMILES

COc(c(NCC(Cn1nnnc1-c1ccccc1)O)c1)cc(Cl)c1OC

InChI

InChI=1S/C18H20ClN5O3/c1-26-16-9-15(17(27-2)8-14(16)19)20-10-13(25)11-24-18(21-22-23-24)12-6-4-3-5-7-12/h3-9,13,20,25H,10-11H2,1-2H3/t13-/m0/s1

InChI Key

BIPLHTNEJFSFFI-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14743153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.677

Distribution Coefficient, logD

2.677

Water Solubility, LogSw

-3.41

Polar Surface Area

80.859

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

C301-3496 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-3496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3496?
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What is the minimum amount of C301-3496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3496
  • 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 C301-3496 available by request