V025-5518 Screening compound: 3-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]-N-[2-(pyridin-2-yl)ethyl]benzamide

V025-5518 Screening compound: 3-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]-N-[2-(pyridin-2-yl)ethyl]benzamide
V025-5518 Screening compound: 3-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]-N-[2-(pyridin-2-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-5518
3-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]-N-[2-(pyridin-2-yl)ethyl]benzamide

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

V025-5518

Molecular Formula

C30H39N5OS (C30 H39 N5 OS)

Compound Name

3-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]-N-[2-(pyridin-2-yl)ethyl]benzamide

IUPAC name

3-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]-N-[2-(pyridin-2-yl)ethyl]benzamide

SMILES

CC(C)(C)c1nc(SCc2cc(C(NCCc3ncccc3)=O)ccc2)nc(N(C)C2CCCCC2)c1

InChI

InChI=1S/C30H39N5OS/c1-30(2,3)26-20-27(35(4)25-14-6-5-7-15-25)34-29(33-26)37-21-22-11-10-12-23(19-22)28(36)32-18-16-24-13-8-9-17-31-24/h8-13,17,19-20,25H,5-7,14-16,18,21H2,1-4H3,(H,32,36)

InChI Key

HOHYYVLYHFMOEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19831568

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

517.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.198

Distribution Coefficient, logD

6.197

Water Solubility, LogSw

-5.28

Polar Surface Area

52.528

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

V025-5518 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V025-5518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-5518?
Check Price and Availability of V025-5518, 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 V025-5518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-5518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-5518
  • 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 V025-5518 available by request