C301-3493 Screening compound: 1-[(3,5-dimethylphenyl)amino]-3-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)propan-2-ol

C301-3493 Screening compound: 1-[(3,5-dimethylphenyl)amino]-3-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)propan-2-ol
C301-3493 Screening compound: 1-[(3,5-dimethylphenyl)amino]-3-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3493
1-[(3,5-dimethylphenyl)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

C301-3493

Molecular Formula

C18H21N5O (C18 H21 N5 O)

Compound Name

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

IUPAC name

1-[(35-dimethylphenyl)amino]-3-(5-phenyl-1H-1234-tetrazol-1-yl)propan-2-ol

SMILES

Cc1cc(NCC(Cn2nnnc2-c2ccccc2)O)cc(C)c1

InChI

InChI=1S/C18H21N5O/c1-13-8-14(2)10-16(9-13)19-11-17(24)12-23-18(20-21-22-23)15-6-4-3-5-7-15/h3-10,17,19,24H,11-12H2,1-2H3/t17-/m0/s1

InChI Key

AUFPPYKJIDPMPG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14743151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.800

Distribution Coefficient, logD

2.799

Water Solubility, LogSw

-3.01

Polar Surface Area

66.296

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

C301-3493 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-3493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3493?
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What is the minimum amount of C301-3493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3493
  • 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 C301-3493 available by request