8015-0609 Screening compound: N-{1-[(furan-2-yl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}cyclopropanecarboxamide

8015-0609 Screening compound: N-{1-[(furan-2-yl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}cyclopropanecarboxamide
8015-0609 Screening compound: N-{1-[(furan-2-yl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0609
N-{1-[(furan-2-yl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}cyclopropanecarboxamide

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

8015-0609

Molecular Formula

C16H13F3N4O5 (C16 H13 F3 N4 O5)

Compound Name

N-{1-[(furan-2-yl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}cyclopropanecarboxamide

IUPAC name

N-{1-[(furan-2-yl)methyl]-246-trioxo-5-(trifluoromethyl)-1H2H3H4H5H6H7H-pyrrolo[23-d]pyrimidin-5-yl}cyclopropanecarboxamide

SMILES

O=C(C1CC1)NC(C(F)(F)F)(C(C(N1)=O)=C(N2)N(Cc3ccco3)C1=O)C2=O

InChI

InChI=1S/C16H13F3N4O5/c17-16(18,19)15(22-11(24)7-3-4-7)9-10(20-13(15)26)23(14(27)21-12(9)25)6-8-2-1-5-28-8/h1-2,5,7H,3-4,6H2,(H,20,26)(H,22,24)(H,21,25,27)/t15-/m0/s1

InChI Key

YYKDXDPLSANFHX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03855143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.228

Distribution Coefficient, logD

-0.772

Water Solubility, LogSw

-2.00

Polar Surface Area

98.485

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

8015-0609 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-0609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0609?
Check Price and Availability of 8015-0609, 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 8015-0609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0609
  • 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 8015-0609 available by request