F248-0079 Screening compound: N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[1-(2-hydroxyethyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide

F248-0079 Screening compound: N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[1-(2-hydroxyethyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
F248-0079 Screening compound: N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[1-(2-hydroxyethyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F248-0079
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[1-(2-hydroxyethyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide

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

F248-0079

Molecular Formula

C13H15N7O3S3 (C13 H15 N7 O3 S3)

Compound Name

N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[1-(2-hydroxyethyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide

IUPAC name

N-[5-(ethylsulfanyl)-134-thiadiazol-2-yl]-2-{[1-(2-hydroxyethyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}acetamide

SMILES

CCSc1nnc(NC(CSC(N2)=Nc(n(CCO)nc3)c3C2=O)=O)s1

InChI

InChI=1S/C13H15N7O3S3/c1-2-24-13-19-18-12(26-13)15-8(22)6-25-11-16-9-7(10(23)17-11)5-14-20(9)3-4-21/h5,21H,2-4,6H2,1H3,(H,15,18,22)(H,16,17,23)

InChI Key

SMINMHXOWFQKKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09241006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.084

Distribution Coefficient, logD

1.053

Water Solubility, LogSw

-2.11

Polar Surface Area

111.276

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

F248-0079 in Drug Discovery

Included in Screening Libraries

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

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F248-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F248-0079?
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What is the minimum amount of F248-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F248-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F248-0079
  • 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 F248-0079 available by request