V005-5842 Screening compound: N,N-diethyl-2-{[(4-methoxy-3-methylphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole-5-sulfonamide

V005-5842 Screening compound: N,N-diethyl-2-{[(4-methoxy-3-methylphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole-5-sulfonamide
V005-5842 Screening compound: N,N-diethyl-2-{[(4-methoxy-3-methylphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-5842
N,N-diethyl-2-{[(4-methoxy-3-methylphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole-5-sulfonamide

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

V005-5842

Molecular Formula

C25H33N3O4S2 (C25 H33 N3 O4 S2)

Compound Name

N,N-diethyl-2-{[(4-methoxy-3-methylphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole-5-sulfonamide

IUPAC name

NN-diethyl-2-{[(4-methoxy-3-methylphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-1H-13-benzodiazole-5-sulfonamide

SMILES

CCN(CC)S(c(cc1)cc2c1n(CC1OCCC1)c(SCc(cc1)cc(C)c1OC)n2)(=O)=O

InChI

InChI=1S/C25H33N3O4S2/c1-5-27(6-2)34(29,30)21-10-11-23-22(15-21)26-25(28(23)16-20-8-7-13-32-20)33-17-19-9-12-24(31-4)18(3)14-19/h9-12,14-15,20H,5-8,13,16-17H2,1-4H3/t20-/m1/s1

InChI Key

DRTNVMSKWGTTEM-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19960326

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

503.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.843

Distribution Coefficient, logD

4.843

Water Solubility, LogSw

-4.84

Polar Surface Area

57.859

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with V005-5842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-5842?
Check Price and Availability of V005-5842, 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 V005-5842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-5842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-5842
  • 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 V005-5842 available by request