C301-8799 Screening compound: N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide

C301-8799 Screening compound: N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide
C301-8799 Screening compound: N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8799
N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide

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

C301-8799

Molecular Formula

C15H13N7O3S3 (C15 H13 N7 O3 S3)

Compound Name

N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide

IUPAC name

N-{5-[(137-trimethyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl)sulfanyl]-134-thiadiazol-2-yl}thiophene-2-carboxamide

SMILES

Cn1c(Sc2nnc(NC(c3cccs3)=O)s2)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C15H13N7O3S3/c1-20-8-9(21(2)15(25)22(3)11(8)24)16-13(20)28-14-19-18-12(27-14)17-10(23)7-5-4-6-26-7/h4-6H,1-3H3,(H,17,18,23)

InChI Key

HAHOSQUJCZHHIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.107

Distribution Coefficient, logD

3.101

Water Solubility, LogSw

-3.42

Polar Surface Area

91.112

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C301-8799 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-8799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8799?
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What is the minimum amount of C301-8799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8799
  • 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 C301-8799 available by request