V026-5961 Screening compound: 3-[({4-[CYCLOHEXYL(METHYL)AMINO]-6-METHYLPYRIMIDIN-2-YL}SULFANYL)METHYL]-N-[(OXOLAN-2-YL)METHYL]BENZAMIDE

V026-5961 Screening compound: 3-[({4-[CYCLOHEXYL(METHYL)AMINO]-6-METHYLPYRIMIDIN-2-YL}SULFANYL)METHYL]-N-[(OXOLAN-2-YL)METHYL]BENZAMIDE
V026-5961 Screening compound: 3-[({4-[CYCLOHEXYL(METHYL)AMINO]-6-METHYLPYRIMIDIN-2-YL}SULFANYL)METHYL]-N-[(OXOLAN-2-YL)METHYL]BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5961
3-[({4-[CYCLOHEXYL(METHYL)AMINO]-6-METHYLPYRIMIDIN-2-YL}SULFANYL)METHYL]-N-[(OXOLAN-2-YL)METHYL]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

V026-5961

Molecular Formula

C25H34N4O2S (C25 H34 N4 O2 S)

Compound Name

3-[({4-[CYCLOHEXYL(METHYL)AMINO]-6-METHYLPYRIMIDIN-2-YL}SULFANYL)METHYL]-N-[(OXOLAN-2-YL)METHYL]BENZAMIDE

IUPAC name

n/a

SMILES

Cc1nc(SCc2cc(C(NCC3OCCC3)=O)ccc2)nc(N(C)C2CCCCC2)c1

InChI

InChI=1S/C25H34N4O2S/c1-18-14-23(29(2)21-10-4-3-5-11-21)28-25(27-18)32-17-19-8-6-9-20(15-19)24(30)26-16-22-12-7-13-31-22/h6,8-9,14-15,21-22H,3-5,7,10-13,16-17H2,1-2H3,(H,26,30)/t22-/m1/s1

InChI Key

HJJTXNPMWUBYCV-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19815318

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.303

Distribution Coefficient, logD

4.303

Water Solubility, LogSw

-4.24

Polar Surface Area

51.604

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.00

V026-5961 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V026-5961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5961?
Check Price and Availability of V026-5961, 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 V026-5961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5961
  • 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 V026-5961 available by request