V015-3890 Screening compound: ethyl 4-oxo-4-(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)butanoate

V015-3890 Screening compound: ethyl 4-oxo-4-(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)butanoate
V015-3890 Screening compound: ethyl 4-oxo-4-(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-3890
ethyl 4-oxo-4-(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)butanoate

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

V015-3890

Molecular Formula

C26H30F3N5O4 (C26 H30 F3 N5 O4)

Compound Name

ethyl 4-oxo-4-(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)butanoate

IUPAC name

ethyl 4-oxo-4-(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[12]oxazolo[54-d]pyrimidin-4-yl}-14-diazepan-1-yl)butanoate

SMILES

CCCc1nc(N(CCC2)CCN2C(CCC(OCC)=O)=O)c(c(-c2cccc(C(F)(F)F)c2)no2)c2n1

InChI

InChI=1S/C26H30F3N5O4/c1-3-7-19-30-24(34-13-6-12-33(14-15-34)20(35)10-11-21(36)37-4-2)22-23(32-38-25(22)31-19)17-8-5-9-18(16-17)26(27,28)29/h5,8-9,16H,3-4,6-7,10-15H2,1-2H3

InChI Key

VBJFSIWECJMNOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19937817

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

533.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.934

Distribution Coefficient, logD

4.934

Water Solubility, LogSw

-4.90

Polar Surface Area

81.976

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V015-3890 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 V015-3890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-3890?
Check Price and Availability of V015-3890, 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 V015-3890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-3890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-3890
  • 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 V015-3890 available by request