D011-6051 Screening compound: N-(2-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2,2-dimethylpropanamide

D011-6051 Screening compound: N-(2-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2,2-dimethylpropanamide
D011-6051 Screening compound: N-(2-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-6051
N-(2-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2,2-dimethylpropanamide

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

D011-6051

Molecular Formula

C21H24ClN3O (C21 H24 ClN3 O)

Compound Name

N-(2-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2,2-dimethylpropanamide

IUPAC name

N-(2-{1-[(4-chlorophenyl)methyl]-1H-13-benzodiazol-2-yl}ethyl)-22-dimethylpropanamide

SMILES

CC(C)(C)C(NCCc1nc(cccc2)c2n1Cc(cc1)ccc1Cl)=O

InChI

InChI=1S/C21H24ClN3O/c1-21(2,3)20(26)23-13-12-19-24-17-6-4-5-7-18(17)25(19)14-15-8-10-16(22)11-9-15/h4-11H,12-14H2,1-3H3,(H,23,26)

InChI Key

DFZNUYQJSURMOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06633414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.89

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.509

Distribution Coefficient, logD

4.502

Water Solubility, LogSw

-4.60

Polar Surface Area

35.670

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

5.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D011-6051 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D011-6051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-6051?
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What is the minimum amount of D011-6051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-6051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-6051
  • 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 D011-6051 available by request