V009-5813 Screening compound: 2-({[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole

V009-5813 Screening compound: 2-({[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole
V009-5813 Screening compound: 2-({[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-5813
2-({[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-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

V009-5813

Molecular Formula

C26H29N5O5S2 (C26 H29 N5 O5 S2)

Compound Name

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

IUPAC name

2-({[5-(2-methoxyphenyl)-124-oxadiazol-3-yl]methyl}sulfanyl)-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-13-benzodiazole

SMILES

COc(cccc1)c1-c1nc(CSc2nc(cc(cc3)S(N4CCCC4)(=O)=O)c3n2CC2OCCC2)no1

InChI

InChI=1S/C26H29N5O5S2/c1-34-23-9-3-2-8-20(23)25-28-24(29-36-25)17-37-26-27-21-15-19(38(32,33)30-12-4-5-13-30)10-11-22(21)31(26)16-18-7-6-14-35-18/h2-3,8-11,15,18H,4-7,12-14,16-17H2,1H3/t18-/m1/s1

InChI Key

WPBOJVPQWAEHRY-GOSISDBHSA-N

MDL Number (MFCD)

MFCD19960129

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

555.68

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.092

Distribution Coefficient, logD

4.088

Water Solubility, LogSw

-4.29

Polar Surface Area

91.507

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

References: we are preparing a list of scientific research reports with V009-5813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-5813?
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What is the minimum amount of V009-5813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-5813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-5813
  • 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 V009-5813 available by request