C646-0125 Screening compound: N-(3,4-dimethylphenyl)-3-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)butanamide

C646-0125 Screening compound: N-(3,4-dimethylphenyl)-3-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)butanamide
C646-0125 Screening compound: N-(3,4-dimethylphenyl)-3-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C646-0125
N-(3,4-dimethylphenyl)-3-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)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

C646-0125

Molecular Formula

C21H25N3O3S2 (C21 H25 N3 O3 S2)

Compound Name

N-(3,4-dimethylphenyl)-3-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)butanamide

IUPAC name

N-(34-dimethylphenyl)-3-methyl-2-(2-methyl-13-benzothiazole-6-sulfonamido)butanamide

SMILES

CC(C)C(C(Nc1cc(C)c(C)cc1)=O)NS(c(cc1)cc2c1nc(C)s2)(=O)=O

InChI

InChI=1S/C21H25N3O3S2/c1-12(2)20(21(25)23-16-7-6-13(3)14(4)10-16)24-29(26,27)17-8-9-18-19(11-17)28-15(5)22-18/h6-12,20,24H,1-5H3,(H,23,25)/t20-/m0/s1

InChI Key

MICXETXLPIBHCL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14778950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.842

Distribution Coefficient, logD

4.842

Water Solubility, LogSw

-4.57

Polar Surface Area

74.452

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C646-0125 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C646-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C646-0125?
Check Price and Availability of C646-0125, 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 C646-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C646-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C646-0125
  • 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 C646-0125 available by request