C481-1487 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

C481-1487 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
C481-1487 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-1487
2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

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

C481-1487

Molecular Formula

C19H18N6O3S4 (C19 H18 N6 O3 S4)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

IUPAC name

2-(213-benzothiadiazole-4-sulfonamido)-N-[5-(ethylsulfanyl)-134-thiadiazol-2-yl]-3-phenylpropanamide

SMILES

CCSc1nnc(NC(C(Cc2ccccc2)NS(c2cccc3nsnc23)(=O)=O)=O)s1

InChI

InChI=1S/C19H18N6O3S4/c1-2-29-19-22-21-18(30-19)20-17(26)14(11-12-7-4-3-5-8-12)25-32(27,28)15-10-6-9-13-16(15)24-31-23-13/h3-10,14,25H,2,11H2,1H3,(H,20,21,26)/t14-/m0/s1

InChI Key

YSJXNOHLXNPYBD-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14760731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.65

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.372

Distribution Coefficient, logD

4.286

Water Solubility, LogSw

-4.26

Polar Surface Area

108.790

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

C481-1487 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 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 C481-1487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-1487?
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What is the minimum amount of C481-1487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-1487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-1487
  • 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 C481-1487 available by request