V013-5052 Screening compound: 3-[4-(3-fluorobenzoyl)piperazin-1-yl]-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzene-1-sulfonamide

V013-5052 Screening compound: 3-[4-(3-fluorobenzoyl)piperazin-1-yl]-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzene-1-sulfonamide
V013-5052 Screening compound: 3-[4-(3-fluorobenzoyl)piperazin-1-yl]-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5052
3-[4-(3-fluorobenzoyl)piperazin-1-yl]-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzene-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

V013-5052

Molecular Formula

C26H28FN3O5S (C26 H28 FN3 O5 S)

Compound Name

3-[4-(3-fluorobenzoyl)piperazin-1-yl]-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzene-1-sulfonamide

IUPAC name

3-[4-(3-fluorobenzoyl)piperazin-1-yl]-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzene-1-sulfonamide

SMILES

CN(c(cc1)ccc1OC)S(c(cc1)cc(N(CC2)CCN2C(c2cc(F)ccc2)=O)c1OC)(=O)=O

InChI

InChI=1S/C26H28FN3O5S/c1-28(21-7-9-22(34-2)10-8-21)36(32,33)23-11-12-25(35-3)24(18-23)29-13-15-30(16-14-29)26(31)19-5-4-6-20(27)17-19/h4-12,17-18H,13-16H2,1-3H3

InChI Key

XKRRWQNQMAFHPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950236

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

513.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.208

Distribution Coefficient, logD

4.208

Water Solubility, LogSw

-4.38

Polar Surface Area

67.842

Acid Dissociation Constant (pKa)

28.25

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

V013-5052 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V013-5052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5052?
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What is the minimum amount of V013-5052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5052
  • 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 V013-5052 available by request