C481-1636 Screening compound: N-[4-(diethylamino)-2-methylphenyl]-2-(N-methyl2,1,3-benzothiadiazole-4-sulfonamido)acetamide

C481-1636 Screening compound: N-[4-(diethylamino)-2-methylphenyl]-2-(N-methyl2,1,3-benzothiadiazole-4-sulfonamido)acetamide
C481-1636 Screening compound: N-[4-(diethylamino)-2-methylphenyl]-2-(N-methyl2,1,3-benzothiadiazole-4-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-1636
N-[4-(diethylamino)-2-methylphenyl]-2-(N-methyl2,1,3-benzothiadiazole-4-sulfonamido)acetamide

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

C481-1636

Molecular Formula

C20H25N5O3S2 (C20 H25 N5 O3 S2)

Compound Name

N-[4-(diethylamino)-2-methylphenyl]-2-(N-methyl2,1,3-benzothiadiazole-4-sulfonamido)acetamide

IUPAC name

N-[4-(diethylamino)-2-methylphenyl]-2-(N-methyl213-benzothiadiazole-4-sulfonamido)acetamide

SMILES

CCN(CC)c(cc1)cc(C)c1NC(CN(C)S(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C20H25N5O3S2/c1-5-25(6-2)15-10-11-16(14(3)12-15)21-19(26)13-24(4)30(27,28)18-9-7-8-17-20(18)23-29-22-17/h7-12H,5-6,13H2,1-4H3,(H,21,26)

InChI Key

OBAZEJTYKBDMHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.327

Distribution Coefficient, logD

3.118

Water Solubility, LogSw

-3.55

Polar Surface Area

78.943

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

9.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C481-1636 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Annotated Library (21441 compounds)

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C481-1636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-1636?
Check Price and Availability of C481-1636, 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 C481-1636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-1636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-1636
  • 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 C481-1636 available by request