C481-1381 Screening compound: methyl 4-[2-(2,1,3-benzothiadiazole-4-sulfonamido)-2-phenylacetamido]benzoate

C481-1381 Screening compound: methyl 4-[2-(2,1,3-benzothiadiazole-4-sulfonamido)-2-phenylacetamido]benzoate
C481-1381 Screening compound: methyl 4-[2-(2,1,3-benzothiadiazole-4-sulfonamido)-2-phenylacetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-1381
methyl 4-[2-(2,1,3-benzothiadiazole-4-sulfonamido)-2-phenylacetamido]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

C481-1381

Molecular Formula

C22H18N4O5S2 (C22 H18 N4 O5 S2)

Compound Name

methyl 4-[2-(2,1,3-benzothiadiazole-4-sulfonamido)-2-phenylacetamido]benzoate

IUPAC name

methyl 4-[2-(213-benzothiadiazole-4-sulfonamido)-2-phenylacetamido]benzoate

SMILES

COC(c(cc1)ccc1NC(C(c1ccccc1)NS(c1cccc2nsnc12)(=O)=O)=O)=O

InChI

InChI=1S/C22H18N4O5S2/c1-31-22(28)15-10-12-16(13-11-15)23-21(27)19(14-6-3-2-4-7-14)26-33(29,30)18-9-5-8-17-20(18)25-32-24-17/h2-13,19,26H,1H3,(H,23,27)/t19-/m1/s1

InChI Key

KWCMYNAMAPWGMQ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14760718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.452

Distribution Coefficient, logD

3.359

Water Solubility, LogSw

-3.80

Polar Surface Area

106.780

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

C481-1381 in Drug Discovery

Included in Screening Libraries

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 C481-1381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-1381?
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What is the minimum amount of C481-1381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-1381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-1381
  • 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 C481-1381 available by request