V028-0725 Screening compound: N-benzyl-5-({[4-(4-benzylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)-N-methyl-2-furamide

V028-0725 Screening compound: N-benzyl-5-({[4-(4-benzylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)-N-methyl-2-furamide
V028-0725 Screening compound: N-benzyl-5-({[4-(4-benzylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)-N-methyl-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0725
N-benzyl-5-({[4-(4-benzylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)-N-methyl-2-furamide

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

V028-0725

Molecular Formula

C30H30F3N5O2S (C30 H30 F3 N5 O2 S)

Compound Name

N-benzyl-5-({[4-(4-benzylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)-N-methyl-2-furamide

IUPAC name

N-benzyl-5-({[4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-methylfuran-2-carboxamide

SMILES

CN(Cc1ccccc1)C(c1ccc(CSc2nc(N3CCN(Cc4ccccc4)CC3)cc(C(F)(F)F)n2)o1)=O

InChI

InChI=1S/C30H30F3N5O2S/c1-36(19-22-8-4-2-5-9-22)28(39)25-13-12-24(40-25)21-41-29-34-26(30(31,32)33)18-27(35-29)38-16-14-37(15-17-38)20-23-10-6-3-7-11-23/h2-13,18H,14-17,19-21H2,1H3

InChI Key

DEPSKPOVLWCFGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19818178

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

581.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.501

Distribution Coefficient, logD

6.394

Water Solubility, LogSw

-5.60

Polar Surface Area

47.708

Acid Dissociation Constant (pKa)

22.82

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

V028-0725 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-0725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0725?
Check Price and Availability of V028-0725, 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 V028-0725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0725
  • 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 V028-0725 available by request