D516-0196 Screening compound: 2-chloro-N-{2-[2-(2-ethylbutanamido)ethyl]-1-methyl-1H-1,3-benzodiazol-5-yl}benzamide

D516-0196 Screening compound: 2-chloro-N-{2-[2-(2-ethylbutanamido)ethyl]-1-methyl-1H-1,3-benzodiazol-5-yl}benzamide
D516-0196 Screening compound: 2-chloro-N-{2-[2-(2-ethylbutanamido)ethyl]-1-methyl-1H-1,3-benzodiazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0196
2-chloro-N-{2-[2-(2-ethylbutanamido)ethyl]-1-methyl-1H-1,3-benzodiazol-5-yl}benzamide

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

D516-0196

Molecular Formula

C23H27ClN4O2 (C23 H27 ClN4 O2)

Compound Name

2-chloro-N-{2-[2-(2-ethylbutanamido)ethyl]-1-methyl-1H-1,3-benzodiazol-5-yl}benzamide

IUPAC name

2-chloro-N-{2-[2-(2-ethylbutanamido)ethyl]-1-methyl-1H-13-benzodiazol-5-yl}benzamide

SMILES

CCC(CC)C(NCCc1nc(cc(cc2)NC(c(cccc3)c3Cl)=O)c2n1C)=O

InChI

InChI=1S/C23H27ClN4O2/c1-4-15(5-2)22(29)25-13-12-21-27-19-14-16(10-11-20(19)28(21)3)26-23(30)17-8-6-7-9-18(17)24/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,25,29)(H,26,30)

InChI Key

ORCSACVHVLDBBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.126

Distribution Coefficient, logD

4.120

Water Solubility, LogSw

-4.38

Polar Surface Area

59.842

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

D516-0196 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D516-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0196?
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What is the minimum amount of D516-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0196
  • 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 D516-0196 available by request