F248-0116 Screening compound: methyl 2-{[1-(2-hydroxyethyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanoate

F248-0116 Screening compound: methyl 2-{[1-(2-hydroxyethyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanoate
F248-0116 Screening compound: methyl 2-{[1-(2-hydroxyethyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F248-0116
methyl 2-{[1-(2-hydroxyethyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanoate

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

F248-0116

Molecular Formula

C12H16N4O4S (C12 H16 N4 O4 S)

Compound Name

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

IUPAC name

methyl 2-{[1-(2-hydroxyethyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}butanoate

SMILES

CCC(C(OC)=O)SC(N1)=Nc(n(CCO)nc2)c2C1=O

InChI

InChI=1S/C12H16N4O4S/c1-3-8(11(19)20-2)21-12-14-9-7(10(18)15-12)6-13-16(9)4-5-17/h6,8,17H,3-5H2,1-2H3,(H,14,15,18)/t8-/m0/s1

InChI Key

WHELFYBPTMKILS-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD08535941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.714

Distribution Coefficient, logD

0.703

Water Solubility, LogSw

-2.13

Polar Surface Area

86.666

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

F248-0116 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with F248-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F248-0116?
Check Price and Availability of F248-0116, 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 F248-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F248-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F248-0116
  • 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 F248-0116 available by request