V003-5732 Screening compound: 4-(4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)morpholine

V003-5732 Screening compound: 4-(4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)morpholine
V003-5732 Screening compound: 4-(4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5732
4-(4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)morpholine

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

V003-5732

Molecular Formula

C29H32F3N5O2S (C29 H32 F3 N5 O2 S)

Compound Name

4-(4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)morpholine

IUPAC name

4-(4-{[(45-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)morpholine

SMILES

Cc(c(C)n1)c(N(CC2)CCN2c2cc(C(F)(F)F)ccc2)nc1SCc(cc1)ccc1C(N1CCOCC1)=O

InChI

InChI=1S/C29H32F3N5O2S/c1-20-21(2)33-28(40-19-22-6-8-23(9-7-22)27(38)37-14-16-39-17-15-37)34-26(20)36-12-10-35(11-13-36)25-5-3-4-24(18-25)29(30,31)32/h3-9,18H,10-17,19H2,1-2H3

InChI Key

DQXZDXWPUIHILL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19829867

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

571.67

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

4.974

Distribution Coefficient, logD

4.972

Water Solubility, LogSw

-4.74

Polar Surface Area

49.040

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

V003-5732 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V003-5732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5732?
Check Price and Availability of V003-5732, 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 V003-5732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5732
  • 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 V003-5732 available by request