V003-5045 Screening compound: 3-[4-(2,6-difluorobenzenesulfonyl)piperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzene-1-sulfonamide

V003-5045 Screening compound: 3-[4-(2,6-difluorobenzenesulfonyl)piperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzene-1-sulfonamide
V003-5045 Screening compound: 3-[4-(2,6-difluorobenzenesulfonyl)piperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5045
3-[4-(2,6-difluorobenzenesulfonyl)piperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzene-1-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

V003-5045

Molecular Formula

C20H25F2N3O6S2 (C20 H25 F2 N3 O6 S2)

Compound Name

3-[4-(2,6-difluorobenzenesulfonyl)piperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzene-1-sulfonamide

IUPAC name

3-[4-(26-difluorobenzenesulfonyl)piperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzene-1-sulfonamide

SMILES

COCCNS(c(cc1)cc(N(CC2)CCN2S(c(c(F)ccc2)c2F)(=O)=O)c1OC)(=O)=O

InChI

InChI=1S/C20H25F2N3O6S2/c1-30-13-8-23-32(26,27)15-6-7-19(31-2)18(14-15)24-9-11-25(12-10-24)33(28,29)20-16(21)4-3-5-17(20)22/h3-7,14,23H,8-13H2,1-2H3

InChI Key

UWFHYSDRLBIOSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950980

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

505.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.408

Distribution Coefficient, logD

2.408

Water Solubility, LogSw

-2.90

Polar Surface Area

92.753

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V003-5045 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V003-5045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5045?
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What is the minimum amount of V003-5045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5045
  • 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 V003-5045 available by request