C598-0510 Screening compound: 9-chloro-N-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydroacridine-3-carboxamide

C598-0510 Screening compound: 9-chloro-N-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydroacridine-3-carboxamide
C598-0510 Screening compound: 9-chloro-N-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydroacridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C598-0510
9-chloro-N-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydroacridine-3-carboxamide

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

C598-0510

Molecular Formula

C23H21ClN2O (C23 H21 ClN2 O)

Compound Name

9-chloro-N-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydroacridine-3-carboxamide

IUPAC name

9-chloro-N-phenyl-N-(prop-2-en-1-yl)-5678-tetrahydroacridine-3-carboxamide

SMILES

C=CCN(C(c1ccc2c(Cl)c(CCCC3)c3nc2c1)=O)c1ccccc1

InChI

InChI=1S/C23H21ClN2O/c1-2-14-26(17-8-4-3-5-9-17)23(27)16-12-13-19-21(15-16)25-20-11-7-6-10-18(20)22(19)24/h2-5,8-9,12-13,15H,1,6-7,10-11,14H2

InChI Key

VSPMETOUXIOJHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.89

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.798

Distribution Coefficient, logD

5.788

Water Solubility, LogSw

-6.19

Polar Surface Area

25.592

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C598-0510 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C598-0510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C598-0510?
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What is the minimum amount of C598-0510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C598-0510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C598-0510
  • 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 C598-0510 available by request