Y032-0910 Screening compound: dimethyl 5-{[2-(2-thienyl)acetyl]amino}isophthalate

Y032-0910 Screening compound: dimethyl 5-{[2-(2-thienyl)acetyl]amino}isophthalate
Y032-0910 Screening compound: dimethyl 5-{[2-(2-thienyl)acetyl]amino}isophthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-0910
dimethyl 5-{[2-(2-thienyl)acetyl]amino}isophthalate

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

Y032-0910

Molecular Formula

C16H15NO5S (C16 H15 NO5 S)

Compound Name

dimethyl 5-{[2-(2-thienyl)acetyl]amino}isophthalate

IUPAC name

13-dimethyl 5-[2-(thiophen-2-yl)acetamido]benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(Cc2cccs2)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C16H15NO5S/c1-21-15(19)10-6-11(16(20)22-2)8-12(7-10)17-14(18)9-13-4-3-5-23-13/h3-8H,9H2,1-2H3,(H,17,18)

InChI Key

LLFKSRAHIRSPNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02038796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.922

Distribution Coefficient, logD

2.922

Water Solubility, LogSw

-3.38

Polar Surface Area

66.482

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

Y032-0910 in Drug Discovery

Included in Screening Libraries

Human Phosphatases Annotated Library (206 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y032-0910 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-0910?
Check Price and Availability of Y032-0910, 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 Y032-0910 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-0910
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-0910
  • 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 Y032-0910 available by request