2576-4129 Screening compound: benzyl 7-(4-chlorophenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2576-4129 Screening compound: benzyl 7-(4-chlorophenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2576-4129 Screening compound: benzyl 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 2576-4129
benzyl 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

2576-4129

Molecular Formula

C30H26ClNO4 (C30 H26 ClNO4)

Compound Name

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

IUPAC name

benzyl 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(OCc1ccccc1)=O

InChI

InChI=1S/C30H26ClNO4/c1-18-27(30(35)36-17-19-6-3-2-4-7-19)28(21-8-5-9-24(33)14-21)29-25(32-18)15-22(16-26(29)34)20-10-12-23(31)13-11-20/h2-14,22,28,32-33H,15-17H2,1H3

InChI Key

XFHYVCDDYXHKIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01571946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.245

Distribution Coefficient, logD

2.022

Water Solubility, LogSw

-5.93

Polar Surface Area

62.124

Acid Dissociation Constant (pKa)

3.18

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

2576-4129 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 2576-4129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2576-4129?
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What is the minimum amount of 2576-4129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2576-4129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2576-4129
  • 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 2576-4129 available by request