C301-9109 Screening compound: 1-(3,5-dimethylphenyl)-3-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]urea

C301-9109 Screening compound: 1-(3,5-dimethylphenyl)-3-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]urea
C301-9109 Screening compound: 1-(3,5-dimethylphenyl)-3-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9109
1-(3,5-dimethylphenyl)-3-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]urea

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

C301-9109

Molecular Formula

C13H16N4OS2 (C13 H16 N4 OS2)

Compound Name

1-(3,5-dimethylphenyl)-3-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]urea

IUPAC name

1-(35-dimethylphenyl)-3-[3-(ethylsulfanyl)-124-thiadiazol-5-yl]urea

SMILES

CCSc1nsc(NC(Nc2cc(C)cc(C)c2)=O)n1

InChI

InChI=1S/C13H16N4OS2/c1-4-19-13-16-12(20-17-13)15-11(18)14-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3,(H2,14,15,16,17,18)

InChI Key

ZKSDVCQTSGEKJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08706535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.568

Distribution Coefficient, logD

4.568

Water Solubility, LogSw

-4.33

Polar Surface Area

52.123

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C301-9109 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C301-9109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9109?
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What is the minimum amount of C301-9109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9109
  • 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 C301-9109 available by request