8018-7341 Screening compound: 2-hydroxy-5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}benzoic acid

8018-7341 Screening compound: 2-hydroxy-5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}benzoic acid
8018-7341 Screening compound: 2-hydroxy-5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7341
2-hydroxy-5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}benzoic acid

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

8018-7341

Molecular Formula

C18H20N2O6S (C18 H20 N2 O6 S)

Compound Name

2-hydroxy-5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}benzoic acid

IUPAC name

2-hydroxy-5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}benzoic acid

SMILES

COc(cccc1)c1N(CC1)CCN1S(c(cc1)cc(C(O)=O)c1O)(=O)=O

InChI

InChI=1S/C18H20N2O6S/c1-26-17-5-3-2-4-15(17)19-8-10-20(11-9-19)27(24,25)13-6-7-16(21)14(12-13)18(22)23/h2-7,12,21H,8-11H2,1H3,(H,22,23)

InChI Key

ZFZCNAZTSHUFFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04563621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.316

Distribution Coefficient, logD

-2.024

Water Solubility, LogSw

-3.60

Polar Surface Area

87.495

Acid Dissociation Constant (pKa)

2.06

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

8018-7341 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8018-7341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7341?
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What is the minimum amount of 8018-7341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7341
  • 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 8018-7341 available by request