V019-9904 Screening compound: N-(3-chlorophenyl)-4-[6-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxamide

V019-9904 Screening compound: N-(3-chlorophenyl)-4-[6-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxamide
V019-9904 Screening compound: N-(3-chlorophenyl)-4-[6-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-9904
N-(3-chlorophenyl)-4-[6-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxamide

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

V019-9904

Molecular Formula

C27H26ClF3N6O2 (C27 H26 ClF3 N6 O2)

Compound Name

N-(3-chlorophenyl)-4-[6-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxamide

IUPAC name

N-(3-chlorophenyl)-4-[6-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]-[12]oxazolo[54-d]pyrimidin-4-yl]piperazine-1-carboxamide

SMILES

CC(C)Cc1nc(onc2-c3cc(C(F)(F)F)ccc3)c2c(N(CC2)CCN2C(Nc2cccc(Cl)c2)=O)n1

InChI

InChI=1S/C27H26ClF3N6O2/c1-16(2)13-21-33-24(36-9-11-37(12-10-36)26(38)32-20-8-4-7-19(28)15-20)22-23(35-39-25(22)34-21)17-5-3-6-18(14-17)27(29,30)31/h3-8,14-16H,9-13H2,1-2H3,(H,32,38)

InChI Key

SXRFOXHILLQIQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19938073

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

558.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.084

Distribution Coefficient, logD

7.083

Water Solubility, LogSw

-6.65

Polar Surface Area

70.563

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V019-9904 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V019-9904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-9904?
Check Price and Availability of V019-9904, 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 V019-9904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-9904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-9904
  • 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 V019-9904 available by request