V014-3181 Screening compound: 5-({[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]furan-2-carboxamide

V014-3181 Screening compound: 5-({[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]furan-2-carboxamide
V014-3181 Screening compound: 5-({[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-3181
5-({[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]furan-2-carboxamide

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

V014-3181

Molecular Formula

C23H34N6O3S (C23 H34 N6 O3 S)

Compound Name

5-({[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]furan-2-carboxamide

IUPAC name

5-({[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]furan-2-carboxamide

SMILES

CCc1nc(SCc2ccc(C(NCCN3CCOCC3)=O)o2)nc(N2CCN(C)CC2)c1

InChI

InChI=1S/C23H34N6O3S/c1-3-18-16-21(29-10-8-27(2)9-11-29)26-23(25-18)33-17-19-4-5-20(32-19)22(30)24-6-7-28-12-14-31-15-13-28/h4-5,16H,3,6-15,17H2,1-2H3,(H,24,30)

InChI Key

XTEZCGZVJIKFAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19817871

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

474.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.539

Distribution Coefficient, logD

1.969

Water Solubility, LogSw

-2.84

Polar Surface Area

68.135

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

V014-3181 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 V014-3181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-3181?
Check Price and Availability of V014-3181, 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 V014-3181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-3181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-3181
  • 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 V014-3181 available by request