V012-7069 Screening compound: 2-{[(1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole

V012-7069 Screening compound: 2-{[(1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole
V012-7069 Screening compound: 2-{[(1H-1,3-benzodiazol-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 V012-7069
2-{[(1H-1,3-benzodiazol-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

V012-7069

Molecular Formula

C24H27N5O4S2 (C24 H27 N5 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

O=S(c(cc1)cc2c1n(CC1OCCC1)c(SCc1nc(cccc3)c3[nH]1)n2)(N1CCOCC1)=O

InChI

InChI=1S/C24H27N5O4S2/c30-35(31,28-9-12-32-13-10-28)18-7-8-22-21(14-18)27-24(29(22)15-17-4-3-11-33-17)34-16-23-25-19-5-1-2-6-20(19)26-23/h1-2,5-8,14,17H,3-4,9-13,15-16H2,(H,25,26)/t17-/m1/s1

InChI Key

ATYFASBQXJIXIQ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD19960107

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

513.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.448

Distribution Coefficient, logD

3.438

Water Solubility, LogSw

-3.79

Polar Surface Area

79.033

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

V012-7069 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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 V012-7069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-7069?
Check Price and Availability of V012-7069, 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 V012-7069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-7069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-7069
  • 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 V012-7069 available by request