8018-7901 Screening compound: 3-(3-pyridylmethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

8018-7901 Screening compound: 3-(3-pyridylmethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
8018-7901 Screening compound: 3-(3-pyridylmethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7901
3-(3-pyridylmethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

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

8018-7901

Molecular Formula

C15H10N4O2S (C15 H10 N4 O2 S)

Compound Name

3-(3-pyridylmethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

5-[(pyridin-3-yl)methyl]-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)911-tetraene-46-dione

SMILES

O=C(c(sc1ncccc11)c1N1)N(Cc2cnccc2)C1=O

InChI

InChI=1S/C15H10N4O2S/c20-14-12-11(10-4-2-6-17-13(10)22-12)18-15(21)19(14)8-9-3-1-5-16-7-9/h1-7H,8H2,(H,18,21)

InChI Key

XAYLXTOAZZQDNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08532315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.437

Distribution Coefficient, logD

1.436

Water Solubility, LogSw

-1.99

Polar Surface Area

57.899

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8018-7901 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-7901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7901?
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What is the minimum amount of 8018-7901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7901
  • 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 8018-7901 available by request