Y070-0380 Screening compound: 4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 3,4-dichloro-1-benzothiophene-2-carboxylate

Y070-0380 Screening compound: 4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 3,4-dichloro-1-benzothiophene-2-carboxylate
Y070-0380 Screening compound: 4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 3,4-dichloro-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0380
4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 3,4-dichloro-1-benzothiophene-2-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

Y070-0380

Molecular Formula

C20H10Cl2N2O5S (C20 H10 Cl2 N2 O5 S)

Compound Name

4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 3,4-dichloro-1-benzothiophene-2-carboxylate

IUPAC name

4-[(246-trioxo-13-diazinan-5-ylidene)methyl]phenyl 34-dichloro-1-benzothiophene-2-carboxylate

SMILES

O=C(c(sc1cccc(Cl)c11)c1Cl)Oc1ccc(C=C(C(NC(N2)=O)=O)C2=O)cc1

InChI

InChI=1S/C20H10Cl2N2O5S/c21-12-2-1-3-13-14(12)15(22)16(30-13)19(27)29-10-6-4-9(5-7-10)8-11-17(25)23-20(28)24-18(11)26/h1-8H,(H2,23,24,25,26,28)

InChI Key

YCFGHWUBUKRFJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03462908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.347

Distribution Coefficient, logD

4.000

Water Solubility, LogSw

-4.77

Polar Surface Area

83.768

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y070-0380 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with Y070-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0380?
Check Price and Availability of Y070-0380, 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 Y070-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0380
  • 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 Y070-0380 available by request