Y070-3000 Screening compound: ethyl 4-(5-{[(2Z)-6-[(4-methylphenyl)methyl]-3,7-dioxo-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl}furan-2-yl)benzoate

Y070-3000 Screening compound: ethyl 4-(5-{[(2Z)-6-[(4-methylphenyl)methyl]-3,7-dioxo-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl}furan-2-yl)benzoate
Y070-3000 Screening compound: ethyl 4-(5-{[(2Z)-6-[(4-methylphenyl)methyl]-3,7-dioxo-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3000
ethyl 4-(5-{[(2Z)-6-[(4-methylphenyl)methyl]-3,7-dioxo-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl}furan-2-yl)benzoate

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

Y070-3000

Molecular Formula

C27H21N3O5S (C27 H21 N3 O5 S)

Compound Name

ethyl 4-(5-{[(2Z)-6-[(4-methylphenyl)methyl]-3,7-dioxo-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

ethyl 4-(5-{[(2Z)-6-[(4-methylphenyl)methyl]-37-dioxo-2H3H7H-[13]thiazolo[32-b][124]triazin-2-ylidene]methyl}furan-2-yl)benzoate

SMILES

CCOC(c(cc1)ccc1-c1ccc(/C=C(/C(N2N=C3Cc4ccc(C)cc4)=O)\SC2=NC3=O)o1)=O

InChI

InChI=1S/C27H21N3O5S/c1-3-34-26(33)19-10-8-18(9-11-19)22-13-12-20(35-22)15-23-25(32)30-27(36-23)28-24(31)21(29-30)14-17-6-4-16(2)5-7-17/h4-13,15H,3,14H2,1-2H3

InChI Key

VDVKRIJDELAUIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03535575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.450

Distribution Coefficient, logD

5.450

Water Solubility, LogSw

-5.40

Polar Surface Area

78.875

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with Y070-3000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3000?
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What is the minimum amount of Y070-3000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3000
  • 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 Y070-3000 available by request