C301-0197 Screening compound: 3-chloro-2,2-dimethyl-3-[(phenylamino)sulfanyl]-3,4-dihydro-2H-1-benzopyran-4-one

C301-0197 Screening compound: 3-chloro-2,2-dimethyl-3-[(phenylamino)sulfanyl]-3,4-dihydro-2H-1-benzopyran-4-one
C301-0197 Screening compound: 3-chloro-2,2-dimethyl-3-[(phenylamino)sulfanyl]-3,4-dihydro-2H-1-benzopyran-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0197
3-chloro-2,2-dimethyl-3-[(phenylamino)sulfanyl]-3,4-dihydro-2H-1-benzopyran-4-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

C301-0197

Molecular Formula

C17H16ClNO2S (C17 H16 ClNO2 S)

Compound Name

3-chloro-2,2-dimethyl-3-[(phenylamino)sulfanyl]-3,4-dihydro-2H-1-benzopyran-4-one

IUPAC name

3-chloro-22-dimethyl-3-[(phenylamino)sulfanyl]-34-dihydro-2H-1-benzopyran-4-one

SMILES

CC(C)(C1(SNc2ccccc2)Cl)Oc(cccc2)c2C1=O

InChI

InChI=1S/C17H16ClNO2S/c1-16(2)17(18,22-19-12-8-4-3-5-9-12)15(20)13-10-6-7-11-14(13)21-16/h3-11,19H,1-2H3/t17-/m0/s1

InChI Key

ZQVUKCJMIUJAHT-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14741698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.837

Distribution Coefficient, logD

4.837

Water Solubility, LogSw

-4.92

Polar Surface Area

32.406

Acid Dissociation Constant (pKa)

18.70

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

C301-0197 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0197?
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What is the minimum amount of C301-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0197
  • 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 C301-0197 available by request