2513-0556 Screening compound: (1,3-benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate

2513-0556 Screening compound: (1,3-benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate
2513-0556 Screening compound: (1,3-benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-0556
(1,3-benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate

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

2513-0556

Molecular Formula

C22H18N2O4S2 (C22 H18 N2 O4 S2)

Compound Name

(1,3-benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate

IUPAC name

(13-benzothiazol-2-yl)methyl 2-(4-methylbenzenesulfonamido)benzoate

SMILES

Cc(cc1)ccc1S(Nc(cccc1)c1C(OCc1nc(cccc2)c2s1)=O)(=O)=O

InChI

InChI=1S/C22H18N2O4S2/c1-15-10-12-16(13-11-15)30(26,27)24-18-7-3-2-6-17(18)22(25)28-14-21-23-19-8-4-5-9-20(19)29-21/h2-13,24H,14H2,1H3

InChI Key

RILYYDMVADQVDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02710629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.303

Distribution Coefficient, logD

3.061

Water Solubility, LogSw

-5.24

Polar Surface Area

71.264

Acid Dissociation Constant (pKa)

5.16

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

2513-0556 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2513-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-0556?
Check Price and Availability of 2513-0556, 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 2513-0556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-0556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-0556
  • 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 2513-0556 available by request