D717-0180 Screening compound: methyl 2-[7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-amido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

D717-0180 Screening compound: methyl 2-[7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-amido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
D717-0180 Screening compound: methyl 2-[7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-amido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D717-0180
methyl 2-[7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-amido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

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

D717-0180

Molecular Formula

C17H15F2N5O3S (C17 H15 F2 N5 O3 S)

Compound Name

methyl 2-[7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-amido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

methyl 2-[7-(difluoromethyl)-5-methyl-[124]triazolo[15-a]pyrimidine-2-amido]-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

Cc1nc2nc(C(Nc3c(C(OC)=O)c(CCC4)c4s3)=O)nn2c(C(F)F)c1

InChI

InChI=1S/C17H15F2N5O3S/c1-7-6-9(12(18)19)24-17(20-7)21-13(23-24)14(25)22-15-11(16(26)27-2)8-4-3-5-10(8)28-15/h6,12H,3-5H2,1-2H3,(H,22,25)

InChI Key

VYARVHXWEUOOJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02175625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.184

Distribution Coefficient, logD

-0.705

Water Solubility, LogSw

-2.77

Polar Surface Area

74.205

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

D717-0180 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Autophagy-Targeted Library (4564 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D717-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D717-0180?
Check Price and Availability of D717-0180, 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 D717-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D717-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D717-0180
  • 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 D717-0180 available by request