V010-9590 Screening compound: N,N-diethyl-2-{[(5-fluoro-2-methylphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole-5-sulfonamide

V010-9590 Screening compound: N,N-diethyl-2-{[(5-fluoro-2-methylphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole-5-sulfonamide
V010-9590 Screening compound: N,N-diethyl-2-{[(5-fluoro-2-methylphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9590
N,N-diethyl-2-{[(5-fluoro-2-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

V010-9590

Molecular Formula

C24H30FN3O3S2 (C24 H30 FN3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)S(c(cc1)cc2c1n(CC1OCCC1)c(SCc1c(C)ccc(F)c1)n2)(=O)=O

InChI

InChI=1S/C24H30FN3O3S2/c1-4-27(5-2)33(29,30)21-10-11-23-22(14-21)26-24(28(23)15-20-7-6-12-31-20)32-16-18-13-19(25)9-8-17(18)3/h8-11,13-14,20H,4-7,12,15-16H2,1-3H3/t20-/m1/s1

InChI Key

VEWRPFXUWHDCJN-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19960276

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

491.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.463

Distribution Coefficient, logD

5.462

Water Solubility, LogSw

-5.40

Polar Surface Area

50.228

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

References: we are preparing a list of scientific research reports with V010-9590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9590?
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What is the minimum amount of V010-9590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9590
  • 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 V010-9590 available by request