2266-2495 Screening compound: butyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2266-2495 Screening compound: butyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2266-2495 Screening compound: butyl 4-(3-bromo-5-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 2266-2495
butyl 4-(3-bromo-5-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

2266-2495

Molecular Formula

C23H28BrNO5 (C23 H28 BrNO5)

Compound Name

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

IUPAC name

butyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCCOC(C(C1c(cc2OCC)cc(Br)c2O)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C23H28BrNO5/c1-4-6-10-30-23(28)19-13(3)25-16-8-7-9-17(26)21(16)20(19)14-11-15(24)22(27)18(12-14)29-5-2/h11-12,20,25,27H,4-10H2,1-3H3/t20-/m0/s1

InChI Key

WYNKELIGSJTZKH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01367205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.920

Distribution Coefficient, logD

1.024

Water Solubility, LogSw

-4.47

Polar Surface Area

67.658

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

2266-2495 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 2266-2495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2266-2495?
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What is the minimum amount of 2266-2495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2266-2495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2266-2495
  • 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 2266-2495 available by request