Y070-2061 Screening compound: 3-[(5Z)-5-[(9-methyl-4-oxo-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Y070-2061 Screening compound: 3-[(5Z)-5-[(9-methyl-4-oxo-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Y070-2061 Screening compound: 3-[(5Z)-5-[(9-methyl-4-oxo-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-2061
3-[(5Z)-5-[(9-methyl-4-oxo-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

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

Y070-2061

Molecular Formula

C22H26N4O5S2 (C22 H26 N4 O5 S2)

Compound Name

3-[(5Z)-5-[(9-methyl-4-oxo-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

IUPAC name

3-[(5Z)-5-[(9-methyl-4-oxo-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[12-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]propanoic acid

SMILES

CC(C)OCCCNC(N=C1N2C=CC=C1C)=C(/C=C(/C(N1CCC(O)=O)=O)\SC1=S)C2=O

InChI

InChI=1S/C22H26N4O5S2/c1-13(2)31-11-5-8-23-18-15(20(29)25-9-4-6-14(3)19(25)24-18)12-16-21(30)26(22(32)33-16)10-7-17(27)28/h4,6,9,12-13,23H,5,7-8,10-11H2,1-3H3,(H,27,28)

InChI Key

UKDODLWALGHCCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03688643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.6

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.899

Distribution Coefficient, logD

-1.634

Water Solubility, LogSw

-1.60

Polar Surface Area

86.154

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with Y070-2061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-2061?
Check Price and Availability of Y070-2061, 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 Y070-2061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-2061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-2061
  • 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 Y070-2061 available by request