8016-8198 Screening compound: 2-(4-chlorophenyl)-1-methyl-2-oxoethyl 1,2,3,4-tetrahydro-9-acridinecarboxylate

8016-8198 Screening compound: 2-(4-chlorophenyl)-1-methyl-2-oxoethyl 1,2,3,4-tetrahydro-9-acridinecarboxylate
8016-8198 Screening compound: 2-(4-chlorophenyl)-1-methyl-2-oxoethyl 1,2,3,4-tetrahydro-9-acridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8198
2-(4-chlorophenyl)-1-methyl-2-oxoethyl 1,2,3,4-tetrahydro-9-acridinecarboxylate

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

8016-8198

Molecular Formula

C23H20ClNO3 (C23 H20 ClNO3)

Compound Name

2-(4-chlorophenyl)-1-methyl-2-oxoethyl 1,2,3,4-tetrahydro-9-acridinecarboxylate

IUPAC name

1-(4-chlorophenyl)-1-oxopropan-2-yl 1234-tetrahydroacridine-9-carboxylate

SMILES

CC(C(c(cc1)ccc1Cl)=O)OC(c1c(CCCC2)c2nc2ccccc12)=O

InChI

InChI=1S/C23H20ClNO3/c1-14(22(26)15-10-12-16(24)13-11-15)28-23(27)21-17-6-2-4-8-19(17)25-20-9-5-3-7-18(20)21/h2,4,6,8,10-14H,3,5,7,9H2,1H3/t14-/m0/s1

InChI Key

VALICHUNZRPDOA-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD05859458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.677

Distribution Coefficient, logD

5.632

Water Solubility, LogSw

-6.16

Polar Surface Area

43.877

Acid Dissociation Constant (pKa)

19.74

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.09

8016-8198 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8016-8198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8198?
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What is the minimum amount of 8016-8198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8198
  • 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 8016-8198 available by request