S471-0028 Screening compound: 4-[4-(furan-3-carbonyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

S471-0028 Screening compound: 4-[4-(furan-3-carbonyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
S471-0028 Screening compound: 4-[4-(furan-3-carbonyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S471-0028
4-[4-(furan-3-carbonyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

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

S471-0028

Molecular Formula

C14H13F3N4O2 (C14 H13 F3 N4 O2)

Compound Name

4-[4-(furan-3-carbonyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

IUPAC name

4-[4-(furan-3-carbonyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

SMILES

O=C(c1cocc1)N(CC1)CCN1c1cc(C(F)(F)F)ncn1

InChI

InChI=1S/C14H13F3N4O2/c15-14(16,17)11-7-12(19-9-18-11)20-2-4-21(5-3-20)13(22)10-1-6-23-8-10/h1,6-9H,2-5H2

InChI Key

WXDVSMCSSIWTER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.247

Distribution Coefficient, logD

2.247

Water Solubility, LogSw

-2.49

Polar Surface Area

47.224

Acid Dissociation Constant (pKa)

23.23

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

S471-0028 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with S471-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S471-0028?
Check Price and Availability of S471-0028, 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 S471-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S471-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S471-0028
  • 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 S471-0028 available by request