V013-8262 Screening compound: 3-butyl-1-{4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl}urea

V013-8262 Screening compound: 3-butyl-1-{4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]phenyl}urea
V013-8262 Screening compound: 3-butyl-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 V013-8262
3-butyl-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

V013-8262

Molecular Formula

C31H38FN5O3S (C31 H38 FN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C31H38FN5O3S/c1-2-3-17-33-31(38)34-24-15-16-29(37-20-18-36(19-21-37)28-14-7-6-12-26(28)32)30(22-24)41(39,40)35-27-13-8-10-23-9-4-5-11-25(23)27/h4-7,9,11-12,14-16,22,27,35H,2-3,8,10,13,17-21H2,1H3,(H2,33,34,38)/t27-/m0/s1

InChI Key

WIZQTSRUAWBAPA-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19972794

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

579.74

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.651

Distribution Coefficient, logD

6.649

Water Solubility, LogSw

-5.61

Polar Surface Area

81.903

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.70

V013-8262 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 V013-8262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-8262?
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What is the minimum amount of V013-8262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-8262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-8262
  • 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 V013-8262 available by request