V029-5474 Screening compound: ethyl 1-[3-({[4-ethyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate

V029-5474 Screening compound: ethyl 1-[3-({[4-ethyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
V029-5474 Screening compound: ethyl 1-[3-({[4-ethyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5474
ethyl 1-[3-({[4-ethyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]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

V029-5474

Molecular Formula

C26H34N4O4S (C26 H34 N4 O4 S)

Compound Name

ethyl 1-[3-({[4-ethyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[3-({[4-ethyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate

SMILES

CCc1nc(SCc2cc(C(N(CCC3)CC3C(OCC)=O)=O)ccc2)nc(N2CCOCC2)c1

InChI

InChI=1S/C26H34N4O4S/c1-3-22-16-23(29-11-13-33-14-12-29)28-26(27-22)35-18-19-7-5-8-20(15-19)24(31)30-10-6-9-21(17-30)25(32)34-4-2/h5,7-8,15-16,21H,3-4,6,9-14,17-18H2,1-2H3/t21-/m0/s1

InChI Key

LIKPJUUAASSPRP-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19818000

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

498.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.045

Distribution Coefficient, logD

4.045

Water Solubility, LogSw

-3.95

Polar Surface Area

65.915

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

V029-5474 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V029-5474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5474?
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What is the minimum amount of V029-5474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5474
  • 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 V029-5474 available by request