8013-3787 Screening compound: 1-(3,4-dichlorophenyl)-4-(2-methoxy-5-methylbenzenesulfonyl)piperazine

8013-3787 Screening compound: 1-(3,4-dichlorophenyl)-4-(2-methoxy-5-methylbenzenesulfonyl)piperazine
8013-3787 Screening compound: 1-(3,4-dichlorophenyl)-4-(2-methoxy-5-methylbenzenesulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3787
1-(3,4-dichlorophenyl)-4-(2-methoxy-5-methylbenzenesulfonyl)piperazine

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

8013-3787

Molecular Formula

C18H20Cl2N2O3S (C18 H20 Cl2 N2 O3 S)

Compound Name

1-(3,4-dichlorophenyl)-4-(2-methoxy-5-methylbenzenesulfonyl)piperazine

IUPAC name

1-(34-dichlorophenyl)-4-(2-methoxy-5-methylbenzenesulfonyl)piperazine

SMILES

Cc(cc1)cc(S(N(CC2)CCN2c(cc2)cc(Cl)c2Cl)(=O)=O)c1OC

InChI

InChI=1S/C18H20Cl2N2O3S/c1-13-3-6-17(25-2)18(11-13)26(23,24)22-9-7-21(8-10-22)14-4-5-15(19)16(20)12-14/h3-6,11-12H,7-10H2,1-2H3

InChI Key

RTCSOZZRPBGCQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.511

Distribution Coefficient, logD

4.511

Water Solubility, LogSw

-4.58

Polar Surface Area

42.840

Acid Dissociation Constant (pKa)

27.64

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8013-3787 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-3787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3787?
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What is the minimum amount of 8013-3787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3787
  • 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 8013-3787 available by request