V025-5402 Screening compound: ethyl 1-{5-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperidine-3-carboxylate

V025-5402 Screening compound: ethyl 1-{5-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperidine-3-carboxylate
V025-5402 Screening compound: ethyl 1-{5-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-5402
ethyl 1-{5-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperidine-3-carboxylate

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

V025-5402

Molecular Formula

C30H36ClN5O5S (C30 H36 ClN5 O5 S)

Compound Name

ethyl 1-{5-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperidine-3-carboxylate

IUPAC name

ethyl 1-{5-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1ccc(CSc2nc(COC)cc(N(CC3)CCN3c(cccc3)c3Cl)n2)o1)=O)=O

InChI

InChI=1S/C30H36ClN5O5S/c1-3-40-29(38)21-7-6-12-36(18-21)28(37)26-11-10-23(41-26)20-42-30-32-22(19-39-2)17-27(33-30)35-15-13-34(14-16-35)25-9-5-4-8-24(25)31/h4-5,8-11,17,21H,3,6-7,12-16,18-20H2,1-2H3/t21-/m0/s1

InChI Key

JSFNQXZAXLQVTF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19822536

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

614.17

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.752

Distribution Coefficient, logD

5.752

Water Solubility, LogSw

-5.84

Polar Surface Area

77.231

Acid Dissociation Constant (pKa)

22.52

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

References: we are preparing a list of scientific research reports with V025-5402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-5402?
Check Price and Availability of V025-5402, 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 V025-5402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-5402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-5402
  • 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 V025-5402 available by request