D010-0166 Screening compound: 1-(prop-2-en-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1H-1,3-benzodiazol-2-amine

D010-0166 Screening compound: 1-(prop-2-en-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1H-1,3-benzodiazol-2-amine
D010-0166 Screening compound: 1-(prop-2-en-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D010-0166
1-(prop-2-en-1-yl)-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

D010-0166

Molecular Formula

C20H23N3O3 (C20 H23 N3 O3)

Compound Name

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

IUPAC name

1-(prop-2-en-1-yl)-N-[(345-trimethoxyphenyl)methyl]-1H-13-benzodiazol-2-amine

SMILES

COc1cc(CNc2nc(cccc3)c3n2CC=C)cc(OC)c1OC

InChI

InChI=1S/C20H23N3O3/c1-5-10-23-16-9-7-6-8-15(16)22-20(23)21-13-14-11-17(24-2)19(26-4)18(12-14)25-3/h5-9,11-12H,1,10,13H2,2-4H3,(H,21,22)

InChI Key

SQDBZHWPQQSBOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03066275

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.667

Distribution Coefficient, logD

3.624

Water Solubility, LogSw

-3.92

Polar Surface Area

45.537

Acid Dissociation Constant (pKa)

20.82

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D010-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D010-0166?
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What is the minimum amount of D010-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D010-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D010-0166
  • 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 D010-0166 available by request