C598-0613 Screening compound: ethyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-amido)benzoate

C598-0613 Screening compound: ethyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-amido)benzoate
C598-0613 Screening compound: ethyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C598-0613
ethyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-amido)benzoate

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

C598-0613

Molecular Formula

C23H21ClN2O3 (C23 H21 ClN2 O3)

Compound Name

ethyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-amido)benzoate

IUPAC name

ethyl 4-(9-chloro-5678-tetrahydroacridine-3-amido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(c1ccc2c(Cl)c(CCCC3)c3nc2c1)=O)=O

InChI

InChI=1S/C23H21ClN2O3/c1-2-29-23(28)14-7-10-16(11-8-14)25-22(27)15-9-12-18-20(13-15)26-19-6-4-3-5-17(19)21(18)24/h7-13H,2-6H2,1H3,(H,25,27)

InChI Key

IQIYLCYBKNAKDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.036

Distribution Coefficient, logD

6.030

Water Solubility, LogSw

-6.29

Polar Surface Area

53.835

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C598-0613 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C598-0613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C598-0613?
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What is the minimum amount of C598-0613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C598-0613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C598-0613
  • 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 C598-0613 available by request