C646-0133 Screening compound: 3-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)-N-[2-(4-methylphenyl)ethyl]butanamide

C646-0133 Screening compound: 3-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)-N-[2-(4-methylphenyl)ethyl]butanamide
C646-0133 Screening compound: 3-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)-N-[2-(4-methylphenyl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C646-0133
3-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)-N-[2-(4-methylphenyl)ethyl]butanamide

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

C646-0133

Molecular Formula

C22H27N3O3S2 (C22 H27 N3 O3 S2)

Compound Name

3-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)-N-[2-(4-methylphenyl)ethyl]butanamide

IUPAC name

3-methyl-2-(2-methyl-13-benzothiazole-6-sulfonamido)-N-[2-(4-methylphenyl)ethyl]butanamide

SMILES

CC(C)C(C(NCCc1ccc(C)cc1)=O)NS(c(cc1)cc2c1nc(C)s2)(=O)=O

InChI

InChI=1S/C22H27N3O3S2/c1-14(2)21(22(26)23-12-11-17-7-5-15(3)6-8-17)25-30(27,28)18-9-10-19-20(13-18)29-16(4)24-19/h5-10,13-14,21,25H,11-12H2,1-4H3,(H,23,26)/t21-/m0/s1

InChI Key

DCNMPVLVEJYFNS-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14778952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.011

Distribution Coefficient, logD

4.011

Water Solubility, LogSw

-4.00

Polar Surface Area

75.616

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

C646-0133 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
  • 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 C646-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C646-0133?
Check Price and Availability of C646-0133, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C646-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C646-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C646-0133
  • 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 C646-0133 available by request