C301-9159 Screening compound: 3-(3,4-dimethoxyphenyl)-1-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}urea

C301-9159 Screening compound: 3-(3,4-dimethoxyphenyl)-1-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}urea
C301-9159 Screening compound: 3-(3,4-dimethoxyphenyl)-1-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9159
3-(3,4-dimethoxyphenyl)-1-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}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

C301-9159

Molecular Formula

C23H24N6O5S (C23 H24 N6 O5 S)

Compound Name

3-(3,4-dimethoxyphenyl)-1-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}urea

IUPAC name

3-(34-dimethoxyphenyl)-1-{4-[(137-trimethyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}urea

SMILES

Cn1c(Sc(cc2)ccc2NC(Nc(cc2)cc(OC)c2OC)=O)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C23H24N6O5S/c1-27-18-19(28(2)23(32)29(3)20(18)30)26-22(27)35-15-9-6-13(7-10-15)24-21(31)25-14-8-11-16(33-4)17(12-14)34-5/h6-12H,1-5H3,(H2,24,25,31)

InChI Key

DCEFJMKTXLJZGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.655

Distribution Coefficient, logD

3.655

Water Solubility, LogSw

-3.99

Polar Surface Area

91.660

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C301-9159 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C301-9159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9159?
Check Price and Availability of C301-9159, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C301-9159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9159
  • 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 C301-9159 available by request