Y200-0548 Screening compound: methyl 5-phenyl-2-(pyrazine-2-amido)thiophene-3-carboxylate

Y200-0548 Screening compound: methyl 5-phenyl-2-(pyrazine-2-amido)thiophene-3-carboxylate
Y200-0548 Screening compound: methyl 5-phenyl-2-(pyrazine-2-amido)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-0548
methyl 5-phenyl-2-(pyrazine-2-amido)thiophene-3-carboxylate

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

Y200-0548

Molecular Formula

C17H13N3O3S (C17 H13 N3 O3 S)

Compound Name

methyl 5-phenyl-2-(pyrazine-2-amido)thiophene-3-carboxylate

IUPAC name

methyl 5-phenyl-2-(pyrazine-2-amido)thiophene-3-carboxylate

SMILES

COC(c1c(NC(c2nccnc2)=O)sc(-c2ccccc2)c1)=O

InChI

InChI=1S/C17H13N3O3S/c1-23-17(22)12-9-14(11-5-3-2-4-6-11)24-16(12)20-15(21)13-10-18-7-8-19-13/h2-10H,1H3,(H,20,21)

InChI Key

LDPUXWLRFXFRMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03072750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.778

Distribution Coefficient, logD

2.158

Water Solubility, LogSw

-3.48

Polar Surface Area

62.592

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

Y200-0548 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y200-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-0548?
Check Price and Availability of Y200-0548, 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 Y200-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-0548
  • 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 Y200-0548 available by request