8012-7424 Screening compound: N-(2-{[(adamantan-1-yl)methyl]amino}-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide

8012-7424 Screening compound: N-(2-{[(adamantan-1-yl)methyl]amino}-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide
8012-7424 Screening compound: N-(2-{[(adamantan-1-yl)methyl]amino}-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7424
N-(2-{[(adamantan-1-yl)methyl]amino}-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

8012-7424

Molecular Formula

C23H28F6N2O (C23 H28 F6 N2 O)

Compound Name

N-(2-{[(adamantan-1-yl)methyl]amino}-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide

IUPAC name

N-(2-{[(adamantan-1-yl)methyl]amino}-111333-hexafluoropropan-2-yl)-3-phenylpropanamide

SMILES

O=C(CCc1ccccc1)NC(C(F)(F)F)(C(F)(F)F)NCC1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C23H28F6N2O/c24-22(25,26)21(23(27,28)29,31-19(32)7-6-15-4-2-1-3-5-15)30-14-20-11-16-8-17(12-20)10-18(9-16)13-20/h1-5,16-18,30H,6-14H2,(H,31,32)

InChI Key

HNWAOHDQXJMRKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.224

Distribution Coefficient, logD

2.879

Water Solubility, LogSw

-6.02

Polar Surface Area

34.669

Acid Dissociation Constant (pKa)

4.05

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.60

References: we are preparing a list of scientific research reports with 8012-7424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7424?
Check Price and Availability of 8012-7424, 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 8012-7424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7424
  • 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 8012-7424 available by request