V010-9552 Screening compound: ethyl 4-({[5-(diethylsulfamoyl)-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazol-2-yl]sulfanyl}methyl)benzoate

V010-9552 Screening compound: ethyl 4-({[5-(diethylsulfamoyl)-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazol-2-yl]sulfanyl}methyl)benzoate
V010-9552 Screening compound: ethyl 4-({[5-(diethylsulfamoyl)-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazol-2-yl]sulfanyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9552
ethyl 4-({[5-(diethylsulfamoyl)-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazol-2-yl]sulfanyl}methyl)benzoate

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

V010-9552

Molecular Formula

C26H33N3O5S2 (C26 H33 N3 O5 S2)

Compound Name

ethyl 4-({[5-(diethylsulfamoyl)-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazol-2-yl]sulfanyl}methyl)benzoate

IUPAC name

ethyl 4-({[5-(diethylsulfamoyl)-1-[(oxolan-2-yl)methyl]-1H-13-benzodiazol-2-yl]sulfanyl}methyl)benzoate

SMILES

CCN(CC)S(c(cc1)cc2c1n(CC1OCCC1)c(SCc(cc1)ccc1C(OCC)=O)n2)(=O)=O

InChI

InChI=1S/C26H33N3O5S2/c1-4-28(5-2)36(31,32)22-13-14-24-23(16-22)27-26(29(24)17-21-8-7-15-34-21)35-18-19-9-11-20(12-10-19)25(30)33-6-3/h9-14,16,21H,4-8,15,17-18H2,1-3H3/t21-/m1/s1

InChI Key

NVYVWNZHICAWES-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19960258

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

531.7

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.761

Distribution Coefficient, logD

4.760

Water Solubility, LogSw

-4.56

Polar Surface Area

70.982

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

V010-9552 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V010-9552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9552?
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What is the minimum amount of V010-9552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9552
  • 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 V010-9552 available by request