C444-0200 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[4-(diethylamino)-2-methylphenyl]piperidine-3-carboxamide

C444-0200 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[4-(diethylamino)-2-methylphenyl]piperidine-3-carboxamide
C444-0200 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[4-(diethylamino)-2-methylphenyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-0200
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[4-(diethylamino)-2-methylphenyl]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

C444-0200

Molecular Formula

C23H29N5O3S2 (C23 H29 N5 O3 S2)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[4-(diethylamino)-2-methylphenyl]piperidine-3-carboxamide

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-N-[4-(diethylamino)-2-methylphenyl]piperidine-3-carboxamide

SMILES

CCN(CC)c(cc1)cc(C)c1NC(C(CCC1)CN1S(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C23H29N5O3S2/c1-4-27(5-2)18-11-12-19(16(3)14-18)24-23(29)17-8-7-13-28(15-17)33(30,31)21-10-6-9-20-22(21)26-32-25-20/h6,9-12,14,17H,4-5,7-8,13,15H2,1-3H3,(H,24,29)/t17-/m0/s1

InChI Key

SUWOXWIMGIMZLT-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14758142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.658

Distribution Coefficient, logD

3.448

Water Solubility, LogSw

-3.76

Polar Surface Area

77.965

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

9.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

C444-0200 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 C444-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-0200?
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What is the minimum amount of C444-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-0200
  • 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 C444-0200 available by request