C444-0159 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(5-chloro-2-methoxyphenyl)piperidine-3-carboxamide

C444-0159 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(5-chloro-2-methoxyphenyl)piperidine-3-carboxamide
C444-0159 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(5-chloro-2-methoxyphenyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-0159
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(5-chloro-2-methoxyphenyl)piperidine-3-carboxamide

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

C444-0159

Molecular Formula

C19H19ClN4O4S2 (C19 H19 ClN4 O4 S2)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(5-chloro-2-methoxyphenyl)piperidine-3-carboxamide

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-N-(5-chloro-2-methoxyphenyl)piperidine-3-carboxamide

SMILES

COc(ccc(Cl)c1)c1NC(C(CCC1)CN1S(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C19H19ClN4O4S2/c1-28-16-8-7-13(20)10-15(16)21-19(25)12-4-3-9-24(11-12)30(26,27)17-6-2-5-14-18(17)23-29-22-14/h2,5-8,10,12H,3-4,9,11H2,1H3,(H,21,25)/t12-/m0/s1

InChI Key

UAVUUWDZHNKOIY-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14758124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.97

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.133

Distribution Coefficient, logD

3.059

Water Solubility, LogSw

-3.63

Polar Surface Area

82.859

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

C444-0159 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C444-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-0159?
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What is the minimum amount of C444-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-0159
  • 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 C444-0159 available by request