2406-3679 Screening compound: butan-2-yl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2406-3679 Screening compound: butan-2-yl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2406-3679 Screening compound: butan-2-yl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2406-3679
butan-2-yl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-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

2406-3679

Molecular Formula

C29H32BrNO5 (C29 H32 BrNO5)

Compound Name

butan-2-yl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

butan-2-yl 4-(2-bromo-45-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-145678-hexahydroquinoline-3-carboxylate

SMILES

CCC(C)OC(C(C1c(cc(c(OC)c2)OC)c2Br)=C(C)NC(CC(C2)c3ccccc3)=C1C2=O)=O

InChI

InChI=1S/C29H32BrNO5/c1-6-16(2)36-29(33)26-17(3)31-22-12-19(18-10-8-7-9-11-18)13-23(32)28(22)27(26)20-14-24(34-4)25(35-5)15-21(20)30/h7-11,14-16,19,27,31H,6,12-13H2,1-5H3

InChI Key

JFINWHAGRNLNSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01471101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.472

Distribution Coefficient, logD

2.154

Water Solubility, LogSw

-5.63

Polar Surface Area

59.226

Acid Dissociation Constant (pKa)

3.08

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

37.90

2406-3679 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 2406-3679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2406-3679?
Check Price and Availability of 2406-3679, 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 2406-3679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2406-3679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2406-3679
  • 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 2406-3679 available by request