V004-8956 Screening compound: 4-{4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)pyrimidine-5-carbonyl}morpholine

V004-8956 Screening compound: 4-{4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)pyrimidine-5-carbonyl}morpholine
V004-8956 Screening compound: 4-{4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)pyrimidine-5-carbonyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-8956
4-{4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)pyrimidine-5-carbonyl}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

V004-8956

Molecular Formula

C26H28FN5O2 (C26 H28 FN5 O2)

Compound Name

4-{4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)pyrimidine-5-carbonyl}morpholine

IUPAC name

4-{4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)pyrimidine-5-carbonyl}morpholine

SMILES

Cc1cccc(-c2ncc(C(N3CCOCC3)=O)c(N(CC3)CCN3c(cccc3)c3F)n2)c1

InChI

InChI=1S/C26H28FN5O2/c1-19-5-4-6-20(17-19)24-28-18-21(26(33)32-13-15-34-16-14-32)25(29-24)31-11-9-30(10-12-31)23-8-3-2-7-22(23)27/h2-8,17-18H,9-16H2,1H3

InChI Key

FQEPRFJHOAIMGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14251534

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.254

Distribution Coefficient, logD

4.253

Water Solubility, LogSw

-4.26

Polar Surface Area

49.961

Acid Dissociation Constant (pKa)

22.92

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

V004-8956 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PI3K-Targeted Library (17255 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • 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 V004-8956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-8956?
Check Price and Availability of V004-8956, 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 V004-8956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-8956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-8956
  • 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 V004-8956 available by request