Y043-5375 Screening compound: isopropyl 2-({2-[(E)-1-(1-methyl-1H-pyrrol-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate

Y043-5375 Screening compound: isopropyl 2-({2-[(E)-1-(1-methyl-1H-pyrrol-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate
Y043-5375 Screening compound: isopropyl 2-({2-[(E)-1-(1-methyl-1H-pyrrol-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5375
isopropyl 2-({2-[(E)-1-(1-methyl-1H-pyrrol-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate

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

Y043-5375

Molecular Formula

C19H19NO5 (C19 H19 NO5)

Compound Name

isopropyl 2-({2-[(E)-1-(1-methyl-1H-pyrrol-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate

IUPAC name

propan-2-yl 2-{[(2E)-2-[(1-methyl-1H-pyrrol-2-yl)methylidene]-3-oxo-23-dihydro-1-benzofuran-6-yl]oxy}acetate

SMILES

CC(C)OC(COc(cc1)cc(O/C2=C/c3cccn3C)c1C2=O)=O

InChI

InChI=1S/C19H19NO5/c1-12(2)24-18(21)11-23-14-6-7-15-16(10-14)25-17(19(15)22)9-13-5-4-8-20(13)3/h4-10,12H,11H2,1-3H3

InChI Key

KFARCARVBVXAFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28985806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.075

Distribution Coefficient, logD

3.075

Water Solubility, LogSw

-3.50

Polar Surface Area

51.598

Acid Dissociation Constant (pKa)

25.43

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

Y043-5375 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y043-5375 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5375?
Check Price and Availability of Y043-5375, 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 Y043-5375 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5375
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5375
  • 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 Y043-5375 available by request