D011-4087 Screening compound: 1-{1-[(2,3,5,6-tetramethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol

D011-4087 Screening compound: 1-{1-[(2,3,5,6-tetramethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol
D011-4087 Screening compound: 1-{1-[(2,3,5,6-tetramethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-4087
1-{1-[(2,3,5,6-tetramethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol

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

D011-4087

Molecular Formula

C20H24N2O (C20 H24 N2 O)

Compound Name

1-{1-[(2,3,5,6-tetramethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol

IUPAC name

1-{1-[(2356-tetramethylphenyl)methyl]-1H-13-benzodiazol-2-yl}ethan-1-ol

SMILES

CC(c1nc(cccc2)c2n1Cc1c(C)c(C)cc(C)c1C)O

InChI

InChI=1S/C20H24N2O/c1-12-10-13(2)15(4)17(14(12)3)11-22-19-9-7-6-8-18(19)21-20(22)16(5)23/h6-10,16,23H,11H2,1-5H3/t16-/m0/s1

InChI Key

CIKMCBIZTJBKHQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04214211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.165

Distribution Coefficient, logD

5.051

Water Solubility, LogSw

-5.08

Polar Surface Area

26.178

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

D011-4087 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D011-4087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-4087?
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What is the minimum amount of D011-4087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-4087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-4087
  • 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 D011-4087 available by request