Y042-5120 Screening compound: 2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(2-methyl-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)acetamide

Y042-5120 Screening compound: 2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(2-methyl-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)acetamide
Y042-5120 Screening compound: 2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(2-methyl-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-5120
2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(2-methyl-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-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

Y042-5120

Molecular Formula

C20H21N3O5S (C20 H21 N3 O5 S)

Compound Name

2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(2-methyl-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)acetamide

IUPAC name

2-(78-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-{2-methyl-2H4H6H-thieno[34-c]pyrazol-3-yl}acetamide

SMILES

CC(c(ccc(OC)c1OC)c1O1)=C(CC(Nc2c(CSC3)c3nn2C)=O)C1=O

InChI

InChI=1S/C20H21N3O5S/c1-10-11-5-6-15(26-3)18(27-4)17(11)28-20(25)12(10)7-16(24)21-19-13-8-29-9-14(13)22-23(19)2/h5-6H,7-9H2,1-4H3,(H,21,24)

InChI Key

AAEDOTUZKTWZBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18791134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.235

Distribution Coefficient, logD

2.235

Water Solubility, LogSw

-2.95

Polar Surface Area

74.792

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

Y042-5120 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 Y042-5120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-5120?
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What is the minimum amount of Y042-5120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-5120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-5120
  • 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 Y042-5120 available by request