6738-0082 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-1H-1,3-benzodiazol-2-amine

6738-0082 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-1H-1,3-benzodiazol-2-amine
6738-0082 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6738-0082
N-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-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

6738-0082

Molecular Formula

C18H21N3O2 (C18 H21 N3 O2)

Compound Name

N-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-1H-1,3-benzodiazol-2-amine

IUPAC name

N-[(24-dimethoxyphenyl)methyl]-1-ethyl-1H-13-benzodiazol-2-amine

SMILES

CCn1c(NCc(ccc(OC)c2)c2OC)nc2c1cccc2

InChI

InChI=1S/C18H21N3O2/c1-4-21-16-8-6-5-7-15(16)20-18(21)19-12-13-9-10-14(22-2)11-17(13)23-3/h5-11H,4,12H2,1-3H3,(H,19,20)

InChI Key

QQGBTOQQXKTXSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04019703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.894

Distribution Coefficient, logD

3.794

Water Solubility, LogSw

-4.00

Polar Surface Area

37.480

Acid Dissociation Constant (pKa)

20.40

Base Dissociation Constant (pKb)

6.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

6738-0082 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6738-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6738-0082?
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What is the minimum amount of 6738-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6738-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6738-0082
  • 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 6738-0082 available by request