V016-9849 Screening compound: 2-[({1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl}sulfanyl)methyl]benzonitrile

V016-9849 Screening compound: 2-[({1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl}sulfanyl)methyl]benzonitrile
V016-9849 Screening compound: 2-[({1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl}sulfanyl)methyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9849
2-[({1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl}sulfanyl)methyl]benzonitrile

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

V016-9849

Molecular Formula

C24H26N4O3S2 (C24 H26 N4 O3 S2)

Compound Name

2-[({1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl}sulfanyl)methyl]benzonitrile

IUPAC name

2-[({1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-13-benzodiazol-2-yl}sulfanyl)methyl]benzonitrile

SMILES

N#Cc1c(CSc2nc(cc(cc3)S(N4CCCC4)(=O)=O)c3n2CC2OCCC2)cccc1

InChI

InChI=1S/C24H26N4O3S2/c25-15-18-6-1-2-7-19(18)17-32-24-26-22-14-21(33(29,30)27-11-3-4-12-27)9-10-23(22)28(24)16-20-8-5-13-31-20/h1-2,6-7,9-10,14,20H,3-5,8,11-13,16-17H2/t20-/m1/s1

InChI Key

ACEQRTSJKRUMDN-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19958286

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

482.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.082

Distribution Coefficient, logD

4.081

Water Solubility, LogSw

-4.24

Polar Surface Area

68.265

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with V016-9849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9849?
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What is the minimum amount of V016-9849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9849
  • 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 V016-9849 available by request