2524-3790 Screening compound: 2-(ethylsulfanyl)ethyl 4-(2-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2524-3790 Screening compound: 2-(ethylsulfanyl)ethyl 4-(2-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2524-3790 Screening compound: 2-(ethylsulfanyl)ethyl 4-(2-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2524-3790
2-(ethylsulfanyl)ethyl 4-(2-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

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

2524-3790

Molecular Formula

C27H27BrClNO3S (C27 H27 BrClNO3 S)

Compound Name

2-(ethylsulfanyl)ethyl 4-(2-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-(ethylsulfanyl)ethyl 4-(2-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCSCCOC(C(C1c(cccc2)c2Br)=C(C)NC(CC(C2)c(cc3)ccc3Cl)=C1C2=O)=O

InChI

InChI=1S/C27H27BrClNO3S/c1-3-34-13-12-33-27(32)24-16(2)30-22-14-18(17-8-10-19(29)11-9-17)15-23(31)26(22)25(24)20-6-4-5-7-21(20)28/h4-11,18,25,30H,3,12-15H2,1-2H3

InChI Key

FNBWEXNJYGFLEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01528056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.901

Distribution Coefficient, logD

2.584

Water Solubility, LogSw

-6.49

Polar Surface Area

44.697

Acid Dissociation Constant (pKa)

3.08

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 2524-3790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2524-3790?
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What is the minimum amount of 2524-3790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2524-3790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2524-3790
  • 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 2524-3790 available by request