8019-6782 Screening compound: 5,6-bis(2,5-dimethyl-3-thienyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione

8019-6782 Screening compound: 5,6-bis(2,5-dimethyl-3-thienyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
8019-6782 Screening compound: 5,6-bis(2,5-dimethyl-3-thienyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6782
5,6-bis(2,5-dimethyl-3-thienyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-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

8019-6782

Molecular Formula

C18H17N3O2S2 (C18 H17 N3 O2 S2)

Compound Name

5,6-bis(2,5-dimethyl-3-thienyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione

IUPAC name

56-bis(25-dimethylthiophen-3-yl)-1H2H3H4H7H-pyrrolo[23-d]pyrimidine-24-dione

SMILES

Cc1cc(-c2c(-c3c(C)sc(C)c3)[nH]c(NC(N3)=O)c2C3=O)c(C)s1

InChI

InChI=1S/C18H17N3O2S2/c1-7-5-11(9(3)24-7)13-14-16(20-18(23)21-17(14)22)19-15(13)12-6-8(2)25-10(12)4/h5-6H,1-4H3,(H3,19,20,21,22,23)

InChI Key

QZDONUFYPQFFOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.417

Distribution Coefficient, logD

4.417

Water Solubility, LogSw

-4.41

Polar Surface Area

61.595

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8019-6782 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 8019-6782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6782?
Check Price and Availability of 8019-6782, 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 8019-6782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6782
  • 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 8019-6782 available by request