2852-4646 Screening compound: cyclohexyl 7-(4-chlorophenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2852-4646 Screening compound: cyclohexyl 7-(4-chlorophenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2852-4646 Screening compound: cyclohexyl 7-(4-chlorophenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2852-4646
cyclohexyl 7-(4-chlorophenyl)-4-(3-hydroxyphenyl)-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

2852-4646

Molecular Formula

C29H30ClNO4 (C29 H30 ClNO4)

Compound Name

cyclohexyl 7-(4-chlorophenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

cyclohexyl 7-(4-chlorophenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c(cc2)ccc2Cl)=C(C2c3cc(O)ccc3)C1=O)=C2C(OC1CCCCC1)=O

InChI

InChI=1S/C29H30ClNO4/c1-17-26(29(34)35-23-8-3-2-4-9-23)27(19-6-5-7-22(32)14-19)28-24(31-17)15-20(16-25(28)33)18-10-12-21(30)13-11-18/h5-7,10-14,20,23,27,31-32H,2-4,8-9,15-16H2,1H3

InChI Key

CHDLRQNXTGFNAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01823977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.729

Distribution Coefficient, logD

2.249

Water Solubility, LogSw

-6.06

Polar Surface Area

61.351

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.90

2852-4646 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2852-4646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2852-4646?
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What is the minimum amount of 2852-4646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2852-4646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2852-4646
  • 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 2852-4646 available by request