V008-4221 Screening compound: 2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole

V008-4221 Screening compound: 2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole
V008-4221 Screening compound: 2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4221
2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole

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

V008-4221

Molecular Formula

C25H32N4O5S2 (C25 H32 N4 O5 S2)

Compound Name

2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole

IUPAC name

2-{[(4-methoxy-35-dimethylpyridin-2-yl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-13-benzodiazole

SMILES

Cc1cnc(CSc2nc(cc(cc3)S(N4CCOCC4)(=O)=O)c3n2CC2OCCC2)c(C)c1OC

InChI

InChI=1S/C25H32N4O5S2/c1-17-14-26-22(18(2)24(17)32-3)16-35-25-27-21-13-20(36(30,31)28-8-11-33-12-9-28)6-7-23(21)29(25)15-19-5-4-10-34-19/h6-7,13-14,19H,4-5,8-12,15-16H2,1-3H3/t19-/m1/s1

InChI Key

LXXGWZGDBLUDQJ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19960122

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

532.69

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.420

Distribution Coefficient, logD

3.188

Water Solubility, LogSw

-3.53

Polar Surface Area

76.871

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

7.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

V008-4221 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V008-4221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4221?
Check Price and Availability of V008-4221, 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 V008-4221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4221
  • 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 V008-4221 available by request