C598-0445 Screening compound: 9-chloro-6-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}-1,2,3,4-tetrahydroacridine

C598-0445 Screening compound: 9-chloro-6-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}-1,2,3,4-tetrahydroacridine
C598-0445 Screening compound: 9-chloro-6-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}-1,2,3,4-tetrahydroacridine alternative view

Chemical Structure Depiction of ChemDiv screening compound C598-0445
9-chloro-6-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}-1,2,3,4-tetrahydroacridine

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

C598-0445

Molecular Formula

C28H32ClN3O4 (C28 H32 ClN3 O4)

Compound Name

9-chloro-6-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}-1,2,3,4-tetrahydroacridine

IUPAC name

9-chloro-6-{4-[(234-trimethoxyphenyl)methyl]piperazine-1-carbonyl}-1234-tetrahydroacridine

SMILES

COc(ccc(CN(CC1)CCN1C(c1ccc2c(Cl)c(CCCC3)c3nc2c1)=O)c1OC)c1OC

InChI

InChI=1S/C28H32ClN3O4/c1-34-24-11-9-19(26(35-2)27(24)36-3)17-31-12-14-32(15-13-31)28(33)18-8-10-21-23(16-18)30-22-7-5-4-6-20(22)25(21)29/h8-11,16H,4-7,12-15,17H2,1-3H3

InChI Key

DKEDAVOMWOLVOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.695

Distribution Coefficient, logD

4.495

Water Solubility, LogSw

-5.02

Polar Surface Area

53.244

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

7.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C598-0445 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 C598-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C598-0445?
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What is the minimum amount of C598-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C598-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C598-0445
  • 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 C598-0445 available by request