2984-4787 Screening compound: propan-2-yl 4-[4-(acetyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2984-4787 Screening compound: propan-2-yl 4-[4-(acetyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2984-4787 Screening compound: propan-2-yl 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 2984-4787
propan-2-yl 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

2984-4787

Molecular Formula

C29H30ClNO6 (C29 H30 ClNO6)

Compound Name

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

IUPAC name

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

SMILES

CC(C)OC(C(C1c(cc2)cc(OC)c2OC(C)=O)=C(C)NC(CC(C2)c(cc3)ccc3Cl)=C1C2=O)=O

InChI

InChI=1S/C29H30ClNO6/c1-15(2)36-29(34)26-16(3)31-22-12-20(18-6-9-21(30)10-7-18)13-23(33)28(22)27(26)19-8-11-24(37-17(4)32)25(14-19)35-5/h6-11,14-15,20,27,31H,12-13H2,1-5H3

InChI Key

TVIMWXDXVPZHKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01824436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.01

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

5.630

Distribution Coefficient, logD

1.150

Water Solubility, LogSw

-6.20

Polar Surface Area

72.551

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with 2984-4787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2984-4787?
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What is the minimum amount of 2984-4787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2984-4787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2984-4787
  • 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 2984-4787 available by request