C105-0785 Screening compound: 3-(2,1,3-benzothiadiazole-4-sulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one

C105-0785 Screening compound: 3-(2,1,3-benzothiadiazole-4-sulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
C105-0785 Screening compound: 3-(2,1,3-benzothiadiazole-4-sulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C105-0785
3-(2,1,3-benzothiadiazole-4-sulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one

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

C105-0785

Molecular Formula

C19H20N4O3S2 (C19 H20 N4 O3 S2)

Compound Name

3-(2,1,3-benzothiadiazole-4-sulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one

IUPAC name

3-(213-benzothiadiazole-4-sulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one

SMILES

O=C(CCS(c1cccc2nsnc12)(=O)=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C19H20N4O3S2/c24-18(23-12-10-22(11-13-23)15-5-2-1-3-6-15)9-14-28(25,26)17-8-4-7-16-19(17)21-27-20-16/h1-8H,9-14H2

InChI Key

HTLANWHUYMAXTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.280

Distribution Coefficient, logD

2.280

Water Solubility, LogSw

-2.39

Polar Surface Area

69.609

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with C105-0785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C105-0785?
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What is the minimum amount of C105-0785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C105-0785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C105-0785
  • 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 C105-0785 available by request