Y042-5087 Screening compound: ethyl 2-({3-[4-oxo-3(4H)-quinazolinyl]propanoyl}amino)-1,3-thiazole-4-carboxylate

Y042-5087 Screening compound: ethyl 2-({3-[4-oxo-3(4H)-quinazolinyl]propanoyl}amino)-1,3-thiazole-4-carboxylate
Y042-5087 Screening compound: ethyl 2-({3-[4-oxo-3(4H)-quinazolinyl]propanoyl}amino)-1,3-thiazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-5087
ethyl 2-({3-[4-oxo-3(4H)-quinazolinyl]propanoyl}amino)-1,3-thiazole-4-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

Y042-5087

Molecular Formula

C17H16N4O4S (C17 H16 N4 O4 S)

Compound Name

ethyl 2-({3-[4-oxo-3(4H)-quinazolinyl]propanoyl}amino)-1,3-thiazole-4-carboxylate

IUPAC name

ethyl 2-[3-(4-oxo-34-dihydroquinazolin-3-yl)propanamido]-13-thiazole-4-carboxylate

SMILES

CCOC(c1csc(NC(CCN(C=Nc2c3cccc2)C3=O)=O)n1)=O

InChI

InChI=1S/C17H16N4O4S/c1-2-25-16(24)13-9-26-17(19-13)20-14(22)7-8-21-10-18-12-6-4-3-5-11(12)15(21)23/h3-6,9-10H,2,7-8H2,1H3,(H,19,20,22)

InChI Key

TZHSEBCCBPMNSH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.567

Distribution Coefficient, logD

1.552

Water Solubility, LogSw

-2.61

Polar Surface Area

80.267

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

References: we are preparing a list of scientific research reports with Y042-5087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-5087?
Check Price and Availability of Y042-5087, 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 Y042-5087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-5087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-5087
  • 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 Y042-5087 available by request