2852-4636 Screening compound: cyclohexyl 4-[4-(acetyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2852-4636 Screening compound: cyclohexyl 4-[4-(acetyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2852-4636 Screening compound: cyclohexyl 4-[4-(acetyloxy)-3-methoxyphenyl]-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 2852-4636
cyclohexyl 4-[4-(acetyloxy)-3-methoxyphenyl]-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

2852-4636

Molecular Formula

C32H34ClNO6 (C32 H34 ClNO6)

Compound Name

cyclohexyl 4-[4-(acetyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

cyclohexyl 4-[4-(acetyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(Oc(ccc(C1C(C(CC(C2)c(cc3)ccc3Cl)=O)=C2NC(C)=C1C(OC1CCCCC1)=O)c1)c1OC)=O

InChI

InChI=1S/C32H34ClNO6/c1-18-29(32(37)40-24-7-5-4-6-8-24)30(21-11-14-27(39-19(2)35)28(17-21)38-3)31-25(34-18)15-22(16-26(31)36)20-9-12-23(33)13-10-20/h9-14,17,22,24,30,34H,4-8,15-16H2,1-3H3

InChI Key

UENIFCVIKGRYMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01823968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.08

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.742

Distribution Coefficient, logD

2.262

Water Solubility, LogSw

-6.49

Polar Surface Area

72.202

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.60

2852-4636 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2852-4636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2852-4636?
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What is the minimum amount of 2852-4636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2852-4636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2852-4636
  • 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 2852-4636 available by request