V008-0131 Screening compound: 2-({[2-(difluoromethoxy)phenyl]methyl}sulfanyl)-5-(morpholine-4-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole

V008-0131 Screening compound: 2-({[2-(difluoromethoxy)phenyl]methyl}sulfanyl)-5-(morpholine-4-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole
V008-0131 Screening compound: 2-({[2-(difluoromethoxy)phenyl]methyl}sulfanyl)-5-(morpholine-4-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-0131
2-({[2-(difluoromethoxy)phenyl]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

V008-0131

Molecular Formula

C24H27F2N3O5S2 (C24 H27 F2 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

O=S(c(cc1)cc2c1n(CC1OCCC1)c(SCc(cccc1)c1OC(F)F)n2)(N1CCOCC1)=O

InChI

InChI=1S/C24H27F2N3O5S2/c25-23(26)34-22-6-2-1-4-17(22)16-35-24-27-20-14-19(36(30,31)28-9-12-32-13-10-28)7-8-21(20)29(24)15-18-5-3-11-33-18/h1-2,4,6-8,14,18,23H,3,5,9-13,15-16H2/t18-/m1/s1

InChI Key

VQYZKWWRRXEBBL-GOSISDBHSA-N

MDL Number (MFCD)

MFCD19958465

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

539.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.012

Distribution Coefficient, logD

4.012

Water Solubility, LogSw

-4.17

Polar Surface Area

65.443

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

V008-0131 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V008-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0131?
Check Price and Availability of V008-0131, 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 V008-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0131
  • 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 V008-0131 available by request