8019-0967 Screening compound: N-(2-{4,4-dimethyl-2-[(2-methylpropyl)amino]-6-oxocyclohex-1-en-1-yl}-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide

8019-0967 Screening compound: N-(2-{4,4-dimethyl-2-[(2-methylpropyl)amino]-6-oxocyclohex-1-en-1-yl}-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide
8019-0967 Screening compound: N-(2-{4,4-dimethyl-2-[(2-methylpropyl)amino]-6-oxocyclohex-1-en-1-yl}-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0967
N-(2-{4,4-dimethyl-2-[(2-methylpropyl)amino]-6-oxocyclohex-1-en-1-yl}-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide

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

8019-0967

Molecular Formula

C24H30F6N2O2 (C24 H30 F6 N2 O2)

Compound Name

N-(2-{4,4-dimethyl-2-[(2-methylpropyl)amino]-6-oxocyclohex-1-en-1-yl}-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide

IUPAC name

N-(2-{44-dimethyl-2-[(2-methylpropyl)amino]-6-oxocyclohex-1-en-1-yl}-111333-hexafluoropropan-2-yl)-3-phenylpropanamide

SMILES

CC(C)CNC(CC(C)(C)C1)=C(C(C(F)(F)F)(C(F)(F)F)NC(CCc2ccccc2)=O)C1=O

InChI

InChI=1S/C24H30F6N2O2/c1-15(2)14-31-17-12-21(3,4)13-18(33)20(17)22(23(25,26)27,24(28,29)30)32-19(34)11-10-16-8-6-5-7-9-16/h5-9,15,31H,10-14H2,1-4H3,(H,32,34)

InChI Key

MQBABVJTLCDZDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.605

Distribution Coefficient, logD

-2.964

Water Solubility, LogSw

-5.47

Polar Surface Area

47.584

Acid Dissociation Constant (pKa)

0.22

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

8019-0967 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 8019-0967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0967?
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What is the minimum amount of 8019-0967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0967
  • 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 8019-0967 available by request