6738-0105 Screening compound: 1-butyl-N-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-amine

6738-0105 Screening compound: 1-butyl-N-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-amine
6738-0105 Screening compound: 1-butyl-N-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6738-0105
1-butyl-N-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-amine

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

6738-0105

Molecular Formula

C19H23N3 (C19 H23 N3)

Compound Name

1-butyl-N-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-amine

IUPAC name

1-butyl-N-[(4-methylphenyl)methyl]-1H-13-benzodiazol-2-amine

SMILES

CCCCn1c(NCc2ccc(C)cc2)nc2c1cccc2

InChI

InChI=1S/C19H23N3/c1-3-4-13-22-18-8-6-5-7-17(18)21-19(22)20-14-16-11-9-15(2)10-12-16/h5-12H,3-4,13-14H2,1-2H3,(H,20,21)

InChI Key

LTYWBCIZPZZERM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05988140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.41

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.973

Distribution Coefficient, logD

4.940

Water Solubility, LogSw

-4.39

Polar Surface Area

22.559

Acid Dissociation Constant (pKa)

19.40

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

6738-0105 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6738-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6738-0105?
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What is the minimum amount of 6738-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6738-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6738-0105
  • 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 6738-0105 available by request