Y041-6820 Screening compound: N~1~-(2-furylmethyl)-2-[2-methyl-6-oxopyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-yl]acetamide

Y041-6820 Screening compound: N~1~-(2-furylmethyl)-2-[2-methyl-6-oxopyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-yl]acetamide
Y041-6820 Screening compound: N~1~-(2-furylmethyl)-2-[2-methyl-6-oxopyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-6820
N~1~-(2-furylmethyl)-2-[2-methyl-6-oxopyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-yl]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

Y041-6820

Molecular Formula

C16H14N6O3 (C16 H14 N6 O3)

Compound Name

N~1~-(2-furylmethyl)-2-[2-methyl-6-oxopyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-yl]acetamide

IUPAC name

N-[(furan-2-yl)methyl]-2-{4-methyl-10-oxo-235711-pentaazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-11-yl}acetamide

SMILES

Cc(nc1nc2)nn1c(C=CN1CC(NCc3ccco3)=O)c2C1=O

InChI

InChI=1S/C16H14N6O3/c1-10-19-16-18-8-12-13(22(16)20-10)4-5-21(15(12)24)9-14(23)17-7-11-3-2-6-25-11/h2-6,8H,7,9H2,1H3,(H,17,23)

InChI Key

IGAFLIPZCDAUKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22584400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.275

Distribution Coefficient, logD

0.275

Water Solubility, LogSw

-1.79

Polar Surface Area

82.642

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

Y041-6820 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-6820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-6820?
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What is the minimum amount of Y041-6820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-6820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-6820
  • 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 Y041-6820 available by request