8012-8631 Screening compound: N-(2-{[2-(adamantan-1-yloxy)ethyl]amino}-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide

8012-8631 Screening compound: N-(2-{[2-(adamantan-1-yloxy)ethyl]amino}-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide
8012-8631 Screening compound: N-(2-{[2-(adamantan-1-yloxy)ethyl]amino}-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8631
N-(2-{[2-(adamantan-1-yloxy)ethyl]amino}-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide

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

8012-8631

Molecular Formula

C23H28F6N2O3 (C23 H28 F6 N2 O3)

Compound Name

N-(2-{[2-(adamantan-1-yloxy)ethyl]amino}-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide

IUPAC name

N-(2-{[2-(adamantan-1-yloxy)ethyl]amino}-111333-hexafluoropropan-2-yl)-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(NC(C(F)(F)F)(C(F)(F)F)NCCOC1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C23H28F6N2O3/c1-33-18-4-2-17(3-5-18)19(32)31-21(22(24,25)26,23(27,28)29)30-6-7-34-20-11-14-8-15(12-20)10-16(9-14)13-20/h2-5,14-16,30H,6-13H2,1H3,(H,31,32)

InChI Key

XXGXERSNXTZVBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03133929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.717

Distribution Coefficient, logD

1.772

Water Solubility, LogSw

-5.58

Polar Surface Area

48.495

Acid Dissociation Constant (pKa)

3.45

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.60

References: we are preparing a list of scientific research reports with 8012-8631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8631?
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What is the minimum amount of 8012-8631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8631
  • 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 8012-8631 available by request