V013-3079 Screening compound: 3-benzyl-1-{4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl}urea

V013-3079 Screening compound: 3-benzyl-1-{4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl}urea
V013-3079 Screening compound: 3-benzyl-1-{4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-3079
3-benzyl-1-{4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl}urea

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

V013-3079

Molecular Formula

C34H36FN5O3S (C34 H36 FN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(NCc1ccccc1)Nc(cc1)cc(S(NC(CCC2)c3c2cccc3)(=O)=O)c1N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C34H36FN5O3S/c35-29-14-6-7-16-31(29)39-19-21-40(22-20-39)32-18-17-27(37-34(41)36-24-25-9-2-1-3-10-25)23-33(32)44(42,43)38-30-15-8-12-26-11-4-5-13-28(26)30/h1-7,9-11,13-14,16-18,23,30,38H,8,12,15,19-22,24H2,(H2,36,37,41)/t30-/m0/s1

InChI Key

WHUHLNDRJQJBRV-PMERELPUSA-N

MDL Number (MFCD)

MFCD19972796

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

613.76

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.596

Distribution Coefficient, logD

6.594

Water Solubility, LogSw

-6.09

Polar Surface Area

81.790

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.50

V013-3079 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 V013-3079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-3079?
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What is the minimum amount of V013-3079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-3079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-3079
  • 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 V013-3079 available by request