6738-0119 Screening compound: 1-butyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1H-1,3-benzodiazol-2-amine

6738-0119 Screening compound: 1-butyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1H-1,3-benzodiazol-2-amine
6738-0119 Screening compound: 1-butyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6738-0119
1-butyl-N-[(3,4,5-trimethoxyphenyl)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

6738-0119

Molecular Formula

C21H27N3O3 (C21 H27 N3 O3)

Compound Name

1-butyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1H-1,3-benzodiazol-2-amine

IUPAC name

1-butyl-N-[(345-trimethoxyphenyl)methyl]-1H-13-benzodiazol-2-amine

SMILES

CCCCn1c(NCc(cc2OC)cc(OC)c2OC)nc2c1cccc2

InChI

InChI=1S/C21H27N3O3/c1-5-6-11-24-17-10-8-7-9-16(17)23-21(24)22-14-15-12-18(25-2)20(27-4)19(13-15)26-3/h7-10,12-13H,5-6,11,14H2,1-4H3,(H,22,23)

InChI Key

JMFVCWXGHOYPRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04032915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.331

Distribution Coefficient, logD

4.298

Water Solubility, LogSw

-4.10

Polar Surface Area

45.537

Acid Dissociation Constant (pKa)

20.82

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

6738-0119 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 6738-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6738-0119?
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What is the minimum amount of 6738-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6738-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6738-0119
  • 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 6738-0119 available by request