V004-6798 Screening compound: 3-[({4-[cyclohexyl(methyl)amino]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-[2-(pyridin-2-yl)ethyl]benzamide

V004-6798 Screening compound: 3-[({4-[cyclohexyl(methyl)amino]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-[2-(pyridin-2-yl)ethyl]benzamide
V004-6798 Screening compound: 3-[({4-[cyclohexyl(methyl)amino]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-[2-(pyridin-2-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-6798
3-[({4-[cyclohexyl(methyl)amino]-6-methylpyrimidin-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

V004-6798

Molecular Formula

C27H33N5OS (C27 H33 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(SCc2cc(C(NCCc3ncccc3)=O)ccc2)nc(N(C)C2CCCCC2)c1

InChI

InChI=1S/C27H33N5OS/c1-20-17-25(32(2)24-12-4-3-5-13-24)31-27(30-20)34-19-21-9-8-10-22(18-21)26(33)29-16-14-23-11-6-7-15-28-23/h6-11,15,17-18,24H,3-5,12-14,16,19H2,1-2H3,(H,29,33)

InChI Key

OLOGGOMHQVIHAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19818524

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

475.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.778

Distribution Coefficient, logD

4.778

Water Solubility, LogSw

-4.39

Polar Surface Area

52.334

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

V004-6798 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • 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 V004-6798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-6798?
Check Price and Availability of V004-6798, 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 V004-6798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-6798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-6798
  • 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 V004-6798 available by request