8007-6774 Screening compound: methyl 3,3-bis(trifluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate

8007-6774 Screening compound: methyl 3,3-bis(trifluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
8007-6774 Screening compound: methyl 3,3-bis(trifluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-6774
methyl 3,3-bis(trifluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate

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

8007-6774

Molecular Formula

C10H9F6NO2 (C10 H9 F6 NO2)

Compound Name

methyl 3,3-bis(trifluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate

IUPAC name

methyl 33-bis(trifluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate

SMILES

COC(N(C1C=CC2C1)C2(C(F)(F)F)C(F)(F)F)=O

InChI

InChI=1S/C10H9F6NO2/c1-19-7(18)17-6-3-2-5(4-6)8(17,9(11,12)13)10(14,15)16/h2-3,5-6H,4H2,1H3

InChI Key

QUOSYSAXVHVXMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00430114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.18

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.947

Distribution Coefficient, logD

2.947

Water Solubility, LogSw

-3.05

Polar Surface Area

23.164

Acid Dissociation Constant (pKa)

20.70

Base Dissociation Constant (pKb)

-12.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

70.00

8007-6774 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8007-6774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-6774?
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What is the minimum amount of 8007-6774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-6774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-6774
  • 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 8007-6774 available by request