Y070-0819 Screening compound: 6-[(5Z)-4-oxo-5-({4-oxo-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Y070-0819 Screening compound: 6-[(5Z)-4-oxo-5-({4-oxo-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Y070-0819 Screening compound: 6-[(5Z)-4-oxo-5-({4-oxo-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0819
6-[(5Z)-4-oxo-5-({4-oxo-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic 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

Y070-0819

Molecular Formula

C21H22N4O4S2 (C21 H22 N4 O4 S2)

Compound Name

6-[(5Z)-4-oxo-5-({4-oxo-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

IUPAC name

6-[(5Z)-4-oxo-5-({4-oxo-2-[(prop-2-en-1-yl)amino]-4H-pyrido[12-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-13-thiazolidin-3-yl]hexanoic acid

SMILES

C=CCNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1CCCCCC(O)=O)=O)\SC1=S)C2=O

InChI

InChI=1S/C21H22N4O4S2/c1-2-10-22-18-14(19(28)24-11-7-5-8-16(24)23-18)13-15-20(29)25(21(30)31-15)12-6-3-4-9-17(26)27/h2,5,7-8,11,13,22H,1,3-4,6,9-10,12H2,(H,26,27)

InChI Key

JIHOCCRDESSXRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03212229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.694

Distribution Coefficient, logD

-1.134

Water Solubility, LogSw

-2.07

Polar Surface Area

79.932

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with Y070-0819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0819?
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What is the minimum amount of Y070-0819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0819
  • 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 Y070-0819 available by request