C498-0047 Screening compound: 7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)-4H,5H-thieno[3,2-c]quinolin-4-one

C498-0047 Screening compound: 7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)-4H,5H-thieno[3,2-c]quinolin-4-one
C498-0047 Screening compound: 7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)-4H,5H-thieno[3,2-c]quinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-0047
7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)-4H,5H-thieno[3,2-c]quinolin-4-one

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

C498-0047

Molecular Formula

C23H20ClN3O2S (C23 H20 ClN3 O2 S)

Compound Name

7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)-4H,5H-thieno[3,2-c]quinolin-4-one

IUPAC name

7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)-4H5H-thieno[32-c]quinolin-4-one

SMILES

CN(c(cc(cc1)Cl)c1-c1c2cc(C(N(CC3)CCN3c3ccccc3)=O)s1)C2=O

InChI

InChI=1S/C23H20ClN3O2S/c1-25-19-13-15(24)7-8-17(19)21-18(22(25)28)14-20(30-21)23(29)27-11-9-26(10-12-27)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3

InChI Key

WHHXEGAHMZOMFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.471

Distribution Coefficient, logD

4.471

Water Solubility, LogSw

-4.64

Polar Surface Area

36.034

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C498-0047 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C498-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0047?
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What is the minimum amount of C498-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0047
  • 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 C498-0047 available by request