C105-2671 Screening compound: N-{3-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-3-oxopropyl}-2,1,3-benzothiadiazole-4-sulfonamide

C105-2671 Screening compound: N-{3-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-3-oxopropyl}-2,1,3-benzothiadiazole-4-sulfonamide
C105-2671 Screening compound: N-{3-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-3-oxopropyl}-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C105-2671
N-{3-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-3-oxopropyl}-2,1,3-benzothiadiazole-4-sulfonamide

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

C105-2671

Molecular Formula

C21H21N5O5S2 (C21 H21 N5 O5 S2)

Compound Name

N-{3-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-3-oxopropyl}-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

N-{3-[35-dioxo-4-(2-phenylethyl)piperazin-1-yl]-3-oxopropyl}-213-benzothiadiazole-4-sulfonamide

SMILES

O=C(CCNS(c1cccc2nsnc12)(=O)=O)N(CC(N1CCc2ccccc2)=O)CC1=O

InChI

InChI=1S/C21H21N5O5S2/c27-18(9-11-22-33(30,31)17-8-4-7-16-21(17)24-32-23-16)25-13-19(28)26(20(29)14-25)12-10-15-5-2-1-3-6-15/h1-8,22H,9-14H2

InChI Key

WTBBXCDWEWFXIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.836

Distribution Coefficient, logD

0.832

Water Solubility, LogSw

-2.28

Polar Surface Area

108.550

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C105-2671 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 C105-2671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C105-2671?
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What is the minimum amount of C105-2671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C105-2671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C105-2671
  • 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 C105-2671 available by request