D524-3048 Screening compound: N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(thiophen-2-yl)methyl]furan-2-carboxamide

D524-3048 Screening compound: N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(thiophen-2-yl)methyl]furan-2-carboxamide
D524-3048 Screening compound: N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(thiophen-2-yl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D524-3048
N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(thiophen-2-yl)methyl]furan-2-carboxamide

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

D524-3048

Molecular Formula

C20H21N5O3S (C20 H21 N5 O3 S)

Compound Name

N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(thiophen-2-yl)methyl]furan-2-carboxamide

IUPAC name

N-{6-butyl-5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}-N-[(thiophen-2-yl)methyl]furan-2-carboxamide

SMILES

CCCCC1=C(C)Nc2nc(N(Cc3cccs3)C(c3ccco3)=O)nn2C1=O

InChI

InChI=1S/C20H21N5O3S/c1-3-4-8-15-13(2)21-19-22-20(23-25(19)17(15)26)24(12-14-7-6-11-29-14)18(27)16-9-5-10-28-16/h5-7,9-11H,3-4,8,12H2,1-2H3,(H,21,22,23)

InChI Key

MRXFIJGNAUPCEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.992

Distribution Coefficient, logD

3.816

Water Solubility, LogSw

-3.90

Polar Surface Area

74.398

Acid Dissociation Constant (pKa)

7.70

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D524-3048 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D524-3048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D524-3048?
Check Price and Availability of D524-3048, 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 D524-3048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D524-3048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D524-3048
  • 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 D524-3048 available by request