C365-0243 Screening compound: ethyl 2-(2-{[1-(4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

C365-0243 Screening compound: ethyl 2-(2-{[1-(4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
C365-0243 Screening compound: ethyl 2-(2-{[1-(4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C365-0243
ethyl 2-(2-{[1-(4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamido)-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

C365-0243

Molecular Formula

C25H25N5O4S2 (C25 H25 N5 O4 S2)

Compound Name

ethyl 2-(2-{[1-(4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-(2-{[1-(4-methylphenyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}propanamido)-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(C)SC(N2)=Nc(n(-c3ccc(C)cc3)nc3)c3C2=O)=O)sc2c1CCC2)=O

InChI

InChI=1S/C25H25N5O4S2/c1-4-34-24(33)19-16-6-5-7-18(16)36-23(19)28-21(31)14(3)35-25-27-20-17(22(32)29-25)12-26-30(20)15-10-8-13(2)9-11-15/h8-12,14H,4-7H2,1-3H3,(H,28,31)(H,27,29,32)/t14-/m0/s1

InChI Key

ZDRKUPUBRUVEKM-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD04456472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.902

Distribution Coefficient, logD

2.802

Water Solubility, LogSw

-4.53

Polar Surface Area

92.649

Acid Dissociation Constant (pKa)

5.30

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

C365-0243 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C365-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C365-0243?
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What is the minimum amount of C365-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C365-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C365-0243
  • 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 C365-0243 available by request