C301-0348 Screening compound: 3-chloro-3-{[(3,5-dimethylphenyl)amino]sulfanyl}-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one

C301-0348 Screening compound: 3-chloro-3-{[(3,5-dimethylphenyl)amino]sulfanyl}-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
C301-0348 Screening compound: 3-chloro-3-{[(3,5-dimethylphenyl)amino]sulfanyl}-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0348
3-chloro-3-{[(3,5-dimethylphenyl)amino]sulfanyl}-2,2-dimethyl-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

C301-0348

Molecular Formula

C19H20ClNO2S (C19 H20 ClNO2 S)

Compound Name

3-chloro-3-{[(3,5-dimethylphenyl)amino]sulfanyl}-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one

IUPAC name

3-chloro-3-{[(35-dimethylphenyl)amino]sulfanyl}-22-dimethyl-34-dihydro-2H-1-benzopyran-4-one

SMILES

CC(C)(C1(SNc2cc(C)cc(C)c2)Cl)Oc(cccc2)c2C1=O

InChI

InChI=1S/C19H20ClNO2S/c1-12-9-13(2)11-14(10-12)21-24-19(20)17(22)15-7-5-6-8-16(15)23-18(19,3)4/h5-11,21H,1-4H3/t19-/m0/s1

InChI Key

YWUKPAIHMUUNON-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14741762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.89

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

5.549

Distribution Coefficient, logD

5.549

Water Solubility, LogSw

-5.90

Polar Surface Area

32.406

Acid Dissociation Constant (pKa)

19.06

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

C301-0348 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C301-0348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0348?
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What is the minimum amount of C301-0348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0348
  • 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 C301-0348 available by request