6738-0116 Screening compound: 1-butyl-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,3-benzodiazol-2-amine

6738-0116 Screening compound: 1-butyl-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,3-benzodiazol-2-amine
6738-0116 Screening compound: 1-butyl-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6738-0116
1-butyl-N-[(2,5-dimethoxyphenyl)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

6738-0116

Molecular Formula

C20H25N3O2 (C20 H25 N3 O2)

Compound Name

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

IUPAC name

1-butyl-N-[(25-dimethoxyphenyl)methyl]-1H-13-benzodiazol-2-amine

SMILES

CCCCn1c(NCc(cc(cc2)OC)c2OC)nc2c1cccc2

InChI

InChI=1S/C20H25N3O2/c1-4-5-12-23-18-9-7-6-8-17(18)22-20(23)21-14-15-13-16(24-2)10-11-19(15)25-3/h6-11,13H,4-5,12,14H2,1-3H3,(H,21,22)

InChI Key

UFAIPNMRNWHGGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04009046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.750

Distribution Coefficient, logD

4.723

Water Solubility, LogSw

-4.44

Polar Surface Area

37.733

Acid Dissociation Constant (pKa)

19.90

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

6738-0116 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with 6738-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6738-0116?
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What is the minimum amount of 6738-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6738-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6738-0116
  • 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 6738-0116 available by request