8018-8657 Screening compound: ethyl 5-(hydroxymethyl)-3-isoxazolecarboxylate

8018-8657 Screening compound: ethyl 5-(hydroxymethyl)-3-isoxazolecarboxylate
8018-8657 Screening compound: ethyl 5-(hydroxymethyl)-3-isoxazolecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8657
ethyl 5-(hydroxymethyl)-3-isoxazolecarboxylate

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

8018-8657

Molecular Formula

C7H9NO4 (C7 H9 NO4)

Compound Name

ethyl 5-(hydroxymethyl)-3-isoxazolecarboxylate

IUPAC name

ethyl 5-(hydroxymethyl)-12-oxazole-3-carboxylate

SMILES

CCOC(c1noc(CO)c1)=O

InChI

InChI=1S/C7H9NO4/c1-2-11-7(10)6-3-5(4-9)12-8-6/h3,9H,2,4H2,1H3

InChI Key

ZWVVVEYXDQMHGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08273501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

171.15

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.559

Distribution Coefficient, logD

0.559

Water Solubility, LogSw

-0.69

Polar Surface Area

59.084

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

-8.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

8018-8657 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-8657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8657?
Check Price and Availability of 8018-8657, 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 8018-8657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8657
  • 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 8018-8657 available by request