C583-0036 Screening compound: N-(4-methoxyphenyl)-4-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)pentanamide

C583-0036 Screening compound: N-(4-methoxyphenyl)-4-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)pentanamide
C583-0036 Screening compound: N-(4-methoxyphenyl)-4-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C583-0036
N-(4-methoxyphenyl)-4-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)pentanamide

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

C583-0036

Molecular Formula

C21H25N3O4S2 (C21 H25 N3 O4 S2)

Compound Name

N-(4-methoxyphenyl)-4-methyl-2-(2-methyl-1,3-benzothiazole-6-sulfonamido)pentanamide

IUPAC name

N-(4-methoxyphenyl)-4-methyl-2-(2-methyl-13-benzothiazole-6-sulfonamido)pentanamide

SMILES

CC(C)CC(C(Nc(cc1)ccc1OC)=O)NS(c(cc1)cc2c1nc(C)s2)(=O)=O

InChI

InChI=1S/C21H25N3O4S2/c1-13(2)11-19(21(25)23-15-5-7-16(28-4)8-6-15)24-30(26,27)17-9-10-18-20(12-17)29-14(3)22-18/h5-10,12-13,19,24H,11H2,1-4H3,(H,23,25)/t19-/m0/s1

InChI Key

HLNRXFNGEKJFSR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14772899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.546

Distribution Coefficient, logD

4.546

Water Solubility, LogSw

-4.38

Polar Surface Area

82.274

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C583-0036 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 C583-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C583-0036?
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What is the minimum amount of C583-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C583-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C583-0036
  • 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 C583-0036 available by request