C105-2577 Screening compound: 3-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[4-(propan-2-yl)phenyl]propanamide

C105-2577 Screening compound: 3-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[4-(propan-2-yl)phenyl]propanamide
C105-2577 Screening compound: 3-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[4-(propan-2-yl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C105-2577
3-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[4-(propan-2-yl)phenyl]propanamide

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

C105-2577

Molecular Formula

C18H20N4O3S2 (C18 H20 N4 O3 S2)

Compound Name

3-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[4-(propan-2-yl)phenyl]propanamide

IUPAC name

3-(213-benzothiadiazole-4-sulfonamido)-N-[4-(propan-2-yl)phenyl]propanamide

SMILES

CC(C)c(cc1)ccc1NC(CCNS(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C18H20N4O3S2/c1-12(2)13-6-8-14(9-7-13)20-17(23)10-11-19-27(24,25)16-5-3-4-15-18(16)22-26-21-15/h3-9,12,19H,10-11H2,1-2H3,(H,20,23)

InChI Key

RRFXYIUIISLJLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.664

Distribution Coefficient, logD

3.658

Water Solubility, LogSw

-3.86

Polar Surface Area

85.940

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

C105-2577 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C105-2577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C105-2577?
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What is the minimum amount of C105-2577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C105-2577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C105-2577
  • 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 C105-2577 available by request