V027-8583 Screening compound: 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)pyrimidine

V027-8583 Screening compound: 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)pyrimidine
V027-8583 Screening compound: 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-8583
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)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

V027-8583

Molecular Formula

C28H34N6O4S (C28 H34 N6 O4 S)

Compound Name

4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)pyrimidine

IUPAC name

4-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methyl-2-({[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methyl}sulfanyl)pyrimidine

SMILES

Cc1nc(SCc2ccc(C(N3CCN(C)CC3)=O)o2)nc(N2CCN(Cc(cc3)cc4c3OCO4)CC2)c1

InChI

InChI=1S/C28H34N6O4S/c1-20-15-26(33-13-9-32(10-14-33)17-21-3-5-23-25(16-21)37-19-36-23)30-28(29-20)39-18-22-4-6-24(38-22)27(35)34-11-7-31(2)8-12-34/h3-6,15-16H,7-14,17-19H2,1-2H3

InChI Key

CZFUHONFOAMETM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19820536

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

550.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.721

Distribution Coefficient, logD

2.998

Water Solubility, LogSw

-3.76

Polar Surface Area

68.605

Acid Dissociation Constant (pKa)

22.82

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

V027-8583 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V027-8583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-8583?
Check Price and Availability of V027-8583, 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 V027-8583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-8583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-8583
  • 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 V027-8583 available by request