V015-0014 Screening compound: 1-(4-ethylbenzoyl)-4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepane

V015-0014 Screening compound: 1-(4-ethylbenzoyl)-4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepane
V015-0014 Screening compound: 1-(4-ethylbenzoyl)-4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-0014
1-(4-ethylbenzoyl)-4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepane

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

V015-0014

Molecular Formula

C29H30F3N5O2 (C29 H30 F3 N5 O2)

Compound Name

1-(4-ethylbenzoyl)-4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepane

IUPAC name

1-(4-ethylbenzoyl)-4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[12]oxazolo[54-d]pyrimidin-4-yl}-14-diazepane

SMILES

CCCc1nc(N(CCC2)CCN2C(c2ccc(CC)cc2)=O)c(c(-c2cccc(C(F)(F)F)c2)no2)c2n1

InChI

InChI=1S/C29H30F3N5O2/c1-3-7-23-33-26(24-25(35-39-27(24)34-23)21-8-5-9-22(18-21)29(30,31)32)36-14-6-15-37(17-16-36)28(38)20-12-10-19(4-2)11-13-20/h5,8-13,18H,3-4,6-7,14-17H2,1-2H3

InChI Key

XOIVRCFOSAGZCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19937816

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

537.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.866

Distribution Coefficient, logD

6.866

Water Solubility, LogSw

-6.10

Polar Surface Area

62.074

Acid Dissociation Constant (pKa)

21.58

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

V015-0014 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 V015-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-0014?
Check Price and Availability of V015-0014, 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 V015-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-0014
  • 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 V015-0014 available by request