V016-6657 Screening compound: 1-(4-fluorophenyl)-6,7-dimethoxy-2-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,2,3,4-tetrahydroisoquinoline

V016-6657 Screening compound: 1-(4-fluorophenyl)-6,7-dimethoxy-2-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,2,3,4-tetrahydroisoquinoline
V016-6657 Screening compound: 1-(4-fluorophenyl)-6,7-dimethoxy-2-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6657
1-(4-fluorophenyl)-6,7-dimethoxy-2-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-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

V016-6657

Molecular Formula

C28H25FN2O4 (C28 H25 FN2 O4)

Compound Name

1-(4-fluorophenyl)-6,7-dimethoxy-2-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,2,3,4-tetrahydroisoquinoline

IUPAC name

1-(4-fluorophenyl)-67-dimethoxy-2-(5-methyl-3-phenyl-12-oxazole-4-carbonyl)-1234-tetrahydroisoquinoline

SMILES

Cc1c(C(N(CC2)C(c(cc3)ccc3F)c(cc3OC)c2cc3OC)=O)c(-c2ccccc2)no1

InChI

InChI=1S/C28H25FN2O4/c1-17-25(26(30-35-17)18-7-5-4-6-8-18)28(32)31-14-13-20-15-23(33-2)24(34-3)16-22(20)27(31)19-9-11-21(29)12-10-19/h4-12,15-16,27H,13-14H2,1-3H3/t27-/m0/s1

InChI Key

KAQQFTYATVAJPJ-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19957498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.482

Distribution Coefficient, logD

4.482

Water Solubility, LogSw

-4.46

Polar Surface Area

53.082

Acid Dissociation Constant (pKa)

19.91

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

V016-6657 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V016-6657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6657?
Check Price and Availability of V016-6657, 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 V016-6657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6657
  • 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 V016-6657 available by request