4052-2887 Screening compound: 7-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)oxy]-2H-chromen-2-one

4052-2887 Screening compound: 7-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)oxy]-2H-chromen-2-one
4052-2887 Screening compound: 7-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)oxy]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4052-2887
7-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)oxy]-2H-chromen-2-one

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

4052-2887

Molecular Formula

C19H14N2O3S (C19 H14 N2 O3 S)

Compound Name

7-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)oxy]-2H-chromen-2-one

IUPAC name

7-({10-methyl-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)911-tetraen-12-yl}oxy)-2H-chromen-2-one

SMILES

Cc1nc(Oc(cc2)cc(O3)c2C=CC3=O)c(c(CCC2)c2s2)c2n1

InChI

InChI=1S/C19H14N2O3S/c1-10-20-18(17-13-3-2-4-15(13)25-19(17)21-10)23-12-7-5-11-6-8-16(22)24-14(11)9-12/h5-9H,2-4H2,1H3

InChI Key

PKNHTQIELMPIFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02328202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.202

Distribution Coefficient, logD

4.202

Water Solubility, LogSw

-4.66

Polar Surface Area

47.726

Acid Dissociation Constant (pKa)

20.36

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

4052-2887 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4052-2887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4052-2887?
Check Price and Availability of 4052-2887, 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 4052-2887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4052-2887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4052-2887
  • 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 4052-2887 available by request