4167-0094 Screening compound: 4-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzene-1-sulfonamide

4167-0094 Screening compound: 4-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzene-1-sulfonamide
4167-0094 Screening compound: 4-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4167-0094
4-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzene-1-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

4167-0094

Molecular Formula

C17H15NO7S (C17 H15 NO7 S)

Compound Name

4-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzene-1-sulfonamide

IUPAC name

4-{5-[(22-dimethyl-46-dioxo-13-dioxan-5-ylidene)methyl]furan-2-yl}benzene-1-sulfonamide

SMILES

CC(C)(OC(C1=Cc2ccc(-c(cc3)ccc3S(N)(=O)=O)o2)=O)OC1=O

InChI

InChI=1S/C17H15NO7S/c1-17(2)24-15(19)13(16(20)25-17)9-11-5-8-14(23-11)10-3-6-12(7-4-10)26(18,21)22/h3-9H,1-2H3,(H2,18,21,22)

InChI Key

WAJBQQZCOOAKIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02737902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.37

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.923

Distribution Coefficient, logD

1.922

Water Solubility, LogSw

-2.26

Polar Surface Area

99.617

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

-4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4167-0094 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Carbonic Anhydrase II Library (4939 compounds)

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 4167-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4167-0094?
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What is the minimum amount of 4167-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4167-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4167-0094
  • 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 4167-0094 available by request