C598-0043 Screening compound: 2-[(6-{[(2-methoxyphenyl)methyl]carbamoyl}-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetic acid

C598-0043 Screening compound: 2-[(6-{[(2-methoxyphenyl)methyl]carbamoyl}-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetic acid
C598-0043 Screening compound: 2-[(6-{[(2-methoxyphenyl)methyl]carbamoyl}-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C598-0043
2-[(6-{[(2-methoxyphenyl)methyl]carbamoyl}-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetic acid

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

C598-0043

Molecular Formula

C24H24N2O4S (C24 H24 N2 O4 S)

Compound Name

2-[(6-{[(2-methoxyphenyl)methyl]carbamoyl}-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetic acid

IUPAC name

2-[(6-{[(2-methoxyphenyl)methyl]carbamoyl}-1234-tetrahydroacridin-9-yl)sulfanyl]acetic acid

SMILES

COc1c(CNC(c2ccc3c(SCC(O)=O)c(CCCC4)c4nc3c2)=O)cccc1

InChI

InChI=1S/C24H24N2O4S/c1-30-21-9-5-2-6-16(21)13-25-24(29)15-10-11-18-20(12-15)26-19-8-4-3-7-17(19)23(18)31-14-22(27)28/h2,5-6,9-12H,3-4,7-8,13-14H2,1H3,(H,25,29)(H,27,28)

InChI Key

XPCUOLKHEJXVRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.020

Distribution Coefficient, logD

0.383

Water Solubility, LogSw

-4.27

Polar Surface Area

70.418

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

6.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with C598-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C598-0043?
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What is the minimum amount of C598-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C598-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C598-0043
  • 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 C598-0043 available by request