8019-2622 Screening compound: N-(2-{1-[(2,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2,2-dimethylpropanamide

8019-2622 Screening compound: N-(2-{1-[(2,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2,2-dimethylpropanamide
8019-2622 Screening compound: N-(2-{1-[(2,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-2622
N-(2-{1-[(2,4-dichlorophenyl)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

8019-2622

Molecular Formula

C21H23Cl2N3O (C21 H23 Cl2 N3 O)

Compound Name

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

IUPAC name

N-(2-{1-[(24-dichlorophenyl)methyl]-1H-13-benzodiazol-2-yl}ethyl)-22-dimethylpropanamide

SMILES

CC(C)(C)C(NCCc1nc(cccc2)c2n1Cc(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C21H23Cl2N3O/c1-21(2,3)20(27)24-11-10-19-25-17-6-4-5-7-18(17)26(19)13-14-8-9-15(22)12-16(14)23/h4-9,12H,10-11,13H2,1-3H3,(H,24,27)

InChI Key

FNXIQSVGSOHAML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07188118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.34

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

5.285

Distribution Coefficient, logD

5.278

Water Solubility, LogSw

-5.74

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

8019-2622 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8019-2622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-2622?
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What is the minimum amount of 8019-2622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-2622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-2622
  • 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 8019-2622 available by request