8012-8627 Screening compound: N-(2-{[2-(adamantan-1-yloxy)ethyl]amino}-1,1,1,3,3,3-hexafluoropropan-2-yl)-2,4-dichlorobenzamide

8012-8627 Screening compound: N-(2-{[2-(adamantan-1-yloxy)ethyl]amino}-1,1,1,3,3,3-hexafluoropropan-2-yl)-2,4-dichlorobenzamide
8012-8627 Screening compound: N-(2-{[2-(adamantan-1-yloxy)ethyl]amino}-1,1,1,3,3,3-hexafluoropropan-2-yl)-2,4-dichlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8627
N-(2-{[2-(adamantan-1-yloxy)ethyl]amino}-1,1,1,3,3,3-hexafluoropropan-2-yl)-2,4-dichlorobenzamide

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

8012-8627

Molecular Formula

C22H24Cl2F6N2O2 (C22 H24 Cl2 F6 N2 O2)

Compound Name

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

IUPAC name

N-(2-{[2-(adamantan-1-yloxy)ethyl]amino}-111333-hexafluoropropan-2-yl)-24-dichlorobenzamide

SMILES

O=C(c(ccc(Cl)c1)c1Cl)NC(C(F)(F)F)(C(F)(F)F)NCCOC1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C22H24Cl2F6N2O2/c23-15-1-2-16(17(24)8-15)18(33)32-20(21(25,26)27,22(28,29)30)31-3-4-34-19-9-12-5-13(10-19)7-14(6-12)11-19/h1-2,8,12-14,31H,3-7,9-11H2,(H,32,33)

InChI Key

XOKMMOBQXWMSSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03133666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.910

Distribution Coefficient, logD

0.782

Water Solubility, LogSw

-6.75

Polar Surface Area

40.951

Acid Dissociation Constant (pKa)

1.27

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.20

References: we are preparing a list of scientific research reports with 8012-8627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8627?
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What is the minimum amount of 8012-8627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8627
  • 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 8012-8627 available by request