V013-3116 Screening compound: N-{4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl}-2-methoxybenzamide

V013-3116 Screening compound: N-{4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl}-2-methoxybenzamide
V013-3116 Screening compound: N-{4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl}-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-3116
N-{4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl}-2-methoxybenzamide

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

V013-3116

Molecular Formula

C34H35FN4O4S (C34 H35 FN4 O4 S)

Compound Name

N-{4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl}-2-methoxybenzamide

IUPAC name

N-{4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1234-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl}-2-methoxybenzamide

SMILES

COc(cccc1)c1C(Nc(cc1)cc(S(NC(CCC2)c3c2cccc3)(=O)=O)c1N(CC1)CCN1c(cccc1)c1F)=O

InChI

InChI=1S/C34H35FN4O4S/c1-43-32-16-7-4-12-27(32)34(40)36-25-17-18-31(39-21-19-38(20-22-39)30-15-6-5-13-28(30)35)33(23-25)44(41,42)37-29-14-8-10-24-9-2-3-11-26(24)29/h2-7,9,11-13,15-18,23,29,37H,8,10,14,19-22H2,1H3,(H,36,40)/t29-/m0/s1

InChI Key

CRSVFQLZTGTZLH-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD19972579

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

614.74

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.554

Distribution Coefficient, logD

6.434

Water Solubility, LogSw

-5.66

Polar Surface Area

78.887

Acid Dissociation Constant (pKa)

7.90

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.50

V013-3116 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V013-3116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-3116?
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What is the minimum amount of V013-3116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-3116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-3116
  • 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 V013-3116 available by request