8014-2284 Screening compound: 1,3-bis(2-methylpropyl) 2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

8014-2284 Screening compound: 1,3-bis(2-methylpropyl) 2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
8014-2284 Screening compound: 1,3-bis(2-methylpropyl) 2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2284
1,3-bis(2-methylpropyl) 2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

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

8014-2284

Molecular Formula

C25H37NO6 (C25 H37 NO6)

Compound Name

1,3-bis(2-methylpropyl) 2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

IUPAC name

13-bis(2-methylpropyl) 2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-13-dicarboxylate

SMILES

CC(C)COC(C(C(C(C(OCC(C)C)=O)C(C1)=O)c(cc2)ccc2N(C)C)C1(C)O)=O

InChI

InChI=1S/C25H37NO6/c1-15(2)13-31-23(28)21-19(27)12-25(5,30)22(24(29)32-14-16(3)4)20(21)17-8-10-18(11-9-17)26(6)7/h8-11,15-16,20-22,30H,12-14H2,1-7H3

InChI Key

KAHRRBTTZSYVLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03289961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.417

Distribution Coefficient, logD

4.397

Water Solubility, LogSw

-4.40

Polar Surface Area

73.795

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

64.00

8014-2284 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8014-2284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2284?
Check Price and Availability of 8014-2284, 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 8014-2284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2284
  • 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 8014-2284 available by request