C548-2971 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[4-(diethylamino)-2-methylphenyl]-3-methylbutanamide

C548-2971 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[4-(diethylamino)-2-methylphenyl]-3-methylbutanamide
C548-2971 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[4-(diethylamino)-2-methylphenyl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-2971
2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[4-(diethylamino)-2-methylphenyl]-3-methylbutanamide

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

C548-2971

Molecular Formula

C22H29N5O3S2 (C22 H29 N5 O3 S2)

Compound Name

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

IUPAC name

2-(213-benzothiadiazole-4-sulfonamido)-N-[4-(diethylamino)-2-methylphenyl]-3-methylbutanamide

SMILES

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

InChI

InChI=1S/C22H29N5O3S2/c1-6-27(7-2)16-11-12-17(15(5)13-16)23-22(28)20(14(3)4)26-32(29,30)19-10-8-9-18-21(19)25-31-24-18/h8-14,20,26H,6-7H2,1-5H3,(H,23,28)/t20-/m0/s1

InChI Key

MJQZJCSRXFYZFS-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14769479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.043

Distribution Coefficient, logD

3.825

Water Solubility, LogSw

-3.92

Polar Surface Area

87.916

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

9.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

C548-2971 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C548-2971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-2971?
Check Price and Availability of C548-2971, 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 C548-2971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-2971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-2971
  • 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 C548-2971 available by request