V027-8341 Screening compound: ethyl 1-{3-[({4-[cyclohexyl(methyl)amino]-6-phenylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate

V027-8341 Screening compound: ethyl 1-{3-[({4-[cyclohexyl(methyl)amino]-6-phenylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
V027-8341 Screening compound: ethyl 1-{3-[({4-[cyclohexyl(methyl)amino]-6-phenylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-8341
ethyl 1-{3-[({4-[cyclohexyl(methyl)amino]-6-phenylpyrimidin-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

V027-8341

Molecular Formula

C33H40N4O3S (C33 H40 N4 O3 S)

Compound Name

ethyl 1-{3-[({4-[cyclohexyl(methyl)amino]-6-phenylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate

IUPAC name

ethyl 1-{3-[({4-[cyclohexyl(methyl)amino]-6-phenylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1cccc(CSc2nc(N(C)C3CCCCC3)cc(-c3ccccc3)n2)c1)=O)=O

InChI

InChI=1S/C33H40N4O3S/c1-3-40-32(39)27-16-11-19-37(22-27)31(38)26-15-10-12-24(20-26)23-41-33-34-29(25-13-6-4-7-14-25)21-30(35-33)36(2)28-17-8-5-9-18-28/h4,6-7,10,12-15,20-21,27-28H,3,5,8-9,11,16-19,22-23H2,1-2H3/t27-/m0/s1

InChI Key

MZAUGKDJNOKPLQ-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19817952

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

572.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.778

Distribution Coefficient, logD

6.777

Water Solubility, LogSw

-5.50

Polar Surface Area

55.794

Acid Dissociation Constant (pKa)

21.42

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

V027-8341 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V027-8341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-8341?
Check Price and Availability of V027-8341, 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 V027-8341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-8341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-8341
  • 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 V027-8341 available by request