C598-0429 Screening compound: 9-chloro-N-(2-methoxy-5-nitrophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide

C598-0429 Screening compound: 9-chloro-N-(2-methoxy-5-nitrophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
C598-0429 Screening compound: 9-chloro-N-(2-methoxy-5-nitrophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C598-0429
9-chloro-N-(2-methoxy-5-nitrophenyl)-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

C598-0429

Molecular Formula

C21H18ClN3O4 (C21 H18 ClN3 O4)

Compound Name

9-chloro-N-(2-methoxy-5-nitrophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide

IUPAC name

9-chloro-N-(2-methoxy-5-nitrophenyl)-5678-tetrahydroacridine-3-carboxamide

SMILES

COc(ccc([N+]([O-])=O)c1)c1NC(c1ccc2c(Cl)c(CCCC3)c3nc2c1)=O

InChI

InChI=1S/C21H18ClN3O4/c1-29-19-9-7-13(25(27)28)11-18(19)24-21(26)12-6-8-15-17(10-12)23-16-5-3-2-4-14(16)20(15)22/h6-11H,2-5H2,1H3,(H,24,26)

InChI Key

YPBKYFZMJCMZFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.224

Distribution Coefficient, logD

4.728

Water Solubility, LogSw

-5.80

Polar Surface Area

73.396

Acid Dissociation Constant (pKa)

7.07

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C598-0429 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 C598-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C598-0429?
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What is the minimum amount of C598-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C598-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C598-0429
  • 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 C598-0429 available by request