2677-4285 Screening compound: methyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2677-4285 Screening compound: methyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2677-4285 Screening compound: methyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2677-4285
methyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-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

2677-4285

Molecular Formula

C26H26ClNO5 (C26 H26 ClNO5)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(C1C(C(CC(C2)c(cc3)ccc3Cl)=O)=C2NC(C)=C1C(OC)=O)cc1)c1O

InChI

InChI=1S/C26H26ClNO5/c1-4-33-22-13-16(7-10-20(22)29)24-23(26(31)32-3)14(2)28-19-11-17(12-21(30)25(19)24)15-5-8-18(27)9-6-15/h5-10,13,17,24,28-29H,4,11-12H2,1-3H3

InChI Key

BCQQJXXGBPCTBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01656005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.932

Distribution Coefficient, logD

0.452

Water Solubility, LogSw

-4.84

Polar Surface Area

68.582

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.80

2677-4285 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 2677-4285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2677-4285?
Check Price and Availability of 2677-4285, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2677-4285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2677-4285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2677-4285
  • 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 2677-4285 available by request