V029-6208 Screening compound: 2-(3,4-difluorobenzoyl)-6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline

V029-6208 Screening compound: 2-(3,4-difluorobenzoyl)-6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline
V029-6208 Screening compound: 2-(3,4-difluorobenzoyl)-6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-6208
2-(3,4-difluorobenzoyl)-6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline

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

V029-6208

Molecular Formula

C25H20F5NO3 (C25 H20 F5 NO3)

Compound Name

2-(3,4-difluorobenzoyl)-6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-(34-difluorobenzoyl)-67-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1234-tetrahydroisoquinoline

SMILES

COc1cc(CCN(C2c3cc(C(F)(F)F)ccc3)C(c(cc3)cc(F)c3F)=O)c2cc1OC

InChI

InChI=1S/C25H20F5NO3/c1-33-21-12-14-8-9-31(24(32)16-6-7-19(26)20(27)11-16)23(18(14)13-22(21)34-2)15-4-3-5-17(10-15)25(28,29)30/h3-7,10-13,23H,8-9H2,1-2H3/t23-/m0/s1

InChI Key

ISCYEAVKIIVFJZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19957523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.412

Distribution Coefficient, logD

5.412

Water Solubility, LogSw

-5.65

Polar Surface Area

31.122

Acid Dissociation Constant (pKa)

20.99

Base Dissociation Constant (pKb)

-7.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with V029-6208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-6208?
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What is the minimum amount of V029-6208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-6208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-6208
  • 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 V029-6208 available by request