8012-7417 Screening compound: N-(2-{[2-(adamantan-1-yl)ethyl]amino}-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methoxybenzamide

8012-7417 Screening compound: N-(2-{[2-(adamantan-1-yl)ethyl]amino}-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methoxybenzamide
8012-7417 Screening compound: N-(2-{[2-(adamantan-1-yl)ethyl]amino}-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7417
N-(2-{[2-(adamantan-1-yl)ethyl]amino}-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-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

8012-7417

Molecular Formula

C23H28F6N2O2 (C23 H28 F6 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1C(NC(C(F)(F)F)(C(F)(F)F)NCCC1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C23H28F6N2O2/c1-33-18-5-3-2-4-17(18)19(32)31-21(22(24,25)26,23(27,28)29)30-7-6-20-11-14-8-15(12-20)10-16(9-14)13-20/h2-5,14-16,30H,6-13H2,1H3,(H,31,32)

InChI Key

ZGVCYNNCQMYOQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03134002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.48

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

5.780

Distribution Coefficient, logD

0.248

Water Solubility, LogSw

-5.67

Polar Surface Area

42.354

Acid Dissociation Constant (pKa)

1.87

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.60

8012-7417 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8012-7417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7417?
Check Price and Availability of 8012-7417, 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 8012-7417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7417
  • 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 8012-7417 available by request