2398-3668 Screening compound: butan-2-yl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2398-3668 Screening compound: butan-2-yl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2398-3668 Screening compound: butan-2-yl 4-(3-bromo-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 2398-3668
butan-2-yl 4-(3-bromo-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

2398-3668

Molecular Formula

C30H34BrNO6 (C30 H34 BrNO6)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)OC(C(C1c(cc2OCC)cc(Br)c2O)=C(C)NC(CC(C2)c(cc3)ccc3OC)=C1C2=O)=O

InChI

InChI=1S/C30H34BrNO6/c1-6-16(3)38-30(35)26-17(4)32-23-13-19(18-8-10-21(36-5)11-9-18)14-24(33)28(23)27(26)20-12-22(31)29(34)25(15-20)37-7-2/h8-12,15-16,19,27,32,34H,6-7,13-14H2,1-5H3

InChI Key

PGYQQEYWYHVHOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01446379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.927

Distribution Coefficient, logD

2.447

Water Solubility, LogSw

-5.58

Polar Surface Area

74.199

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 2398-3668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2398-3668?
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What is the minimum amount of 2398-3668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2398-3668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2398-3668
  • 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 2398-3668 available by request