V006-5028 Screening compound: 2-(4-tert-butylbenzoyl)-1-(4-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

V006-5028 Screening compound: 2-(4-tert-butylbenzoyl)-1-(4-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
V006-5028 Screening compound: 2-(4-tert-butylbenzoyl)-1-(4-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-5028
2-(4-tert-butylbenzoyl)-1-(4-fluorophenyl)-6,7-dimethoxy-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

V006-5028

Molecular Formula

C28H30FNO3 (C28 H30 FNO3)

Compound Name

2-(4-tert-butylbenzoyl)-1-(4-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-(4-tert-butylbenzoyl)-1-(4-fluorophenyl)-67-dimethoxy-1234-tetrahydroisoquinoline

SMILES

CC(C)(C)c(cc1)ccc1C(N(CC1)C(c(cc2)ccc2F)c(cc2OC)c1cc2OC)=O

InChI

InChI=1S/C28H30FNO3/c1-28(2,3)21-10-6-19(7-11-21)27(31)30-15-14-20-16-24(32-4)25(33-5)17-23(20)26(30)18-8-12-22(29)13-9-18/h6-13,16-17,26H,14-15H2,1-5H3/t26-/m0/s1

InChI Key

CYBYLXJDYVITGD-SANMLTNESA-N

MDL Number (MFCD)

MFCD19957481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.55

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

6.043

Distribution Coefficient, logD

6.043

Water Solubility, LogSw

-5.53

Polar Surface Area

31.122

Acid Dissociation Constant (pKa)

20.92

Base Dissociation Constant (pKb)

-6.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with V006-5028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-5028?
Check Price and Availability of V006-5028, 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 V006-5028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-5028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-5028
  • 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 V006-5028 available by request