V026-4401 Screening compound: 4-ethyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)-6-(pyrrolidin-1-yl)pyrimidine

V026-4401 Screening compound: 4-ethyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)-6-(pyrrolidin-1-yl)pyrimidine
V026-4401 Screening compound: 4-ethyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)-6-(pyrrolidin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-4401
4-ethyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)-6-(pyrrolidin-1-yl)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

V026-4401

Molecular Formula

C21H29N5O2S (C21 H29 N5 O2 S)

Compound Name

4-ethyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)-6-(pyrrolidin-1-yl)pyrimidine

IUPAC name

4-ethyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)-6-(pyrrolidin-1-yl)pyrimidine

SMILES

CCc1nc(SCc2ccc(C(N3CCN(C)CC3)=O)o2)nc(N2CCCC2)c1

InChI

InChI=1S/C21H29N5O2S/c1-3-16-14-19(25-8-4-5-9-25)23-21(22-16)29-15-17-6-7-18(28-17)20(27)26-12-10-24(2)11-13-26/h6-7,14H,3-5,8-13,15H2,1-2H3

InChI Key

ZLVYFFLQRIPHNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19821059

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

415.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.696

Distribution Coefficient, logD

3.568

Water Solubility, LogSw

-3.74

Polar Surface Area

49.004

Acid Dissociation Constant (pKa)

21.94

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

V026-4401 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 V026-4401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-4401?
Check Price and Availability of V026-4401, 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 V026-4401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-4401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-4401
  • 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 V026-4401 available by request