Y070-1004 Screening compound: prop-2-en-1-yl (2E)-7-methyl-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Y070-1004 Screening compound: prop-2-en-1-yl (2E)-7-methyl-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Y070-1004 Screening compound: prop-2-en-1-yl (2E)-7-methyl-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-1004
prop-2-en-1-yl (2E)-7-methyl-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-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

Y070-1004

Molecular Formula

C24H20N2O3S2 (C24 H20 N2 O3 S2)

Compound Name

prop-2-en-1-yl (2E)-7-methyl-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

prop-2-en-1-yl (2E)-7-methyl-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-5-(thiophen-2-yl)-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(N=C(N(C1c2cccs2)C2=O)S/C2=C/C=C/c2ccccc2)=C1C(OCC=C)=O

InChI

InChI=1S/C24H20N2O3S2/c1-3-14-29-23(28)20-16(2)25-24-26(21(20)18-13-8-15-30-18)22(27)19(31-24)12-7-11-17-9-5-4-6-10-17/h3-13,15,21H,1,14H2,2H3/t21-/m1/s1

InChI Key

DKCAILGMTATOCQ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03088932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.712

Distribution Coefficient, logD

4.712

Water Solubility, LogSw

-4.51

Polar Surface Area

47.060

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

Y070-1004 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 Y070-1004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-1004?
Check Price and Availability of Y070-1004, 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 Y070-1004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-1004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-1004
  • 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 Y070-1004 available by request