C365-0095 Screening compound: methyl 5-({[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)furan-2-carboxylate

C365-0095 Screening compound: methyl 5-({[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)furan-2-carboxylate
C365-0095 Screening compound: methyl 5-({[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C365-0095
methyl 5-({[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)furan-2-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

C365-0095

Molecular Formula

C18H13ClN4O4S (C18 H13 ClN4 O4 S)

Compound Name

methyl 5-({[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)furan-2-carboxylate

IUPAC name

methyl 5-({[1-(4-chlorophenyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}methyl)furan-2-carboxylate

SMILES

COC(c1ccc(CSC(N2)=Nc(n(-c(cc3)ccc3Cl)nc3)c3C2=O)o1)=O

InChI

InChI=1S/C18H13ClN4O4S/c1-26-17(25)14-7-6-12(27-14)9-28-18-21-15-13(16(24)22-18)8-20-23(15)11-4-2-10(19)3-5-11/h2-8H,9H2,1H3,(H,21,22,24)

InChI Key

RLGBGWWYRVMBGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.84

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.764

Distribution Coefficient, logD

3.710

Water Solubility, LogSw

-4.35

Polar Surface Area

77.467

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C365-0095 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C365-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C365-0095?
Check Price and Availability of C365-0095, 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 C365-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C365-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C365-0095
  • 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 C365-0095 available by request