2732-4408 Screening compound: (oxolan-2-yl)methyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2732-4408 Screening compound: (oxolan-2-yl)methyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2732-4408 Screening compound: (oxolan-2-yl)methyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2732-4408
(oxolan-2-yl)methyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-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

2732-4408

Molecular Formula

C25H28BrNO6 (C25 H28 BrNO6)

Compound Name

(oxolan-2-yl)methyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

(oxolan-2-yl)methyl 4-(6-bromo-2H-13-benzodioxol-5-yl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)(C1)CC(NC(C)=C(C2c(cc3OCOc3c3)c3Br)C(OCC3OCCC3)=O)=C2C1=O

InChI

InChI=1S/C25H28BrNO6/c1-13-21(24(29)31-11-14-5-4-6-30-14)22(15-7-19-20(8-16(15)26)33-12-32-19)23-17(27-13)9-25(2,3)10-18(23)28/h7-8,14,22,27H,4-6,9-12H2,1-3H3

InChI Key

OZAFYPGWBWUDRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01823502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.952

Distribution Coefficient, logD

-0.172

Water Solubility, LogSw

-3.99

Polar Surface Area

70.549

Acid Dissociation Constant (pKa)

3.28

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.00

2732-4408 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2732-4408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2732-4408?
Check Price and Availability of 2732-4408, 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 2732-4408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2732-4408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2732-4408
  • 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 2732-4408 available by request