2984-4748 Screening compound: propan-2-yl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2984-4748 Screening compound: propan-2-yl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2984-4748 Screening compound: propan-2-yl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2984-4748
propan-2-yl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-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

2984-4748

Molecular Formula

C29H32ClNO6 (C29 H32 ClNO6)

Compound Name

propan-2-yl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

propan-2-yl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOc1cc(C2C(C(CC(C3)c(cc4)ccc4OC)=O)=C3NC(C)=C2C(OC(C)C)=O)cc(Cl)c1O

InChI

InChI=1S/C29H32ClNO6/c1-6-36-24-14-19(11-21(30)28(24)33)26-25(29(34)37-15(2)3)16(4)31-22-12-18(13-23(32)27(22)26)17-7-9-20(35-5)10-8-17/h7-11,14-15,18,26,31,33H,6,12-13H2,1-5H3

InChI Key

BDIROGJSONMMGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01824398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.03

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.521

Distribution Coefficient, logD

2.041

Water Solubility, LogSw

-5.91

Polar Surface Area

74.316

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.90

2984-4748 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 2984-4748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2984-4748?
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What is the minimum amount of 2984-4748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2984-4748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2984-4748
  • 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 2984-4748 available by request