8008-5302 Screening compound: 6,8-dibromo-7-methyl-3,3-bis(piperidinomethyl)-2,3-dihydro-4H-chromen-4-one

8008-5302 Screening compound: 6,8-dibromo-7-methyl-3,3-bis(piperidinomethyl)-2,3-dihydro-4H-chromen-4-one
8008-5302 Screening compound: 6,8-dibromo-7-methyl-3,3-bis(piperidinomethyl)-2,3-dihydro-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5302
6,8-dibromo-7-methyl-3,3-bis(piperidinomethyl)-2,3-dihydro-4H-chromen-4-one

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

8008-5302

Molecular Formula

C22H30Br2N2O2 (C22 H30 Br2 N2 O2)

Compound Name

6,8-dibromo-7-methyl-3,3-bis(piperidinomethyl)-2,3-dihydro-4H-chromen-4-one

IUPAC name

68-dibromo-7-methyl-33-bis[(piperidin-1-yl)methyl]-34-dihydro-2H-1-benzopyran-4-one

SMILES

Cc(c(Br)c(c1c2)OCC(CN3CCCCC3)(CN3CCCCC3)C1=O)c2Br

InChI

InChI=1S/C22H30Br2N2O2/c1-16-18(23)12-17-20(19(16)24)28-15-22(21(17)27,13-25-8-4-2-5-9-25)14-26-10-6-3-7-11-26/h12H,2-11,13-15H2,1H3

InChI Key

OUKLAUASYZRWEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01104300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.046

Distribution Coefficient, logD

5.010

Water Solubility, LogSw

-4.51

Polar Surface Area

28.904

Acid Dissociation Constant (pKa)

28.05

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.18

8008-5302 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with 8008-5302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5302?
Check Price and Availability of 8008-5302, 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 8008-5302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5302
  • 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 8008-5302 available by request