Y600-1578 Screening compound: 3-(4-fluoroanilino)-1(3H)-isobenzofuranone

Y600-1578 Screening compound: 3-(4-fluoroanilino)-1(3H)-isobenzofuranone
Y600-1578 Screening compound: 3-(4-fluoroanilino)-1(3H)-isobenzofuranone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-1578
3-(4-fluoroanilino)-1(3H)-isobenzofuranone

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

Y600-1578

Molecular Formula

C14H10FNO2 (C14 H10 FNO2)

Compound Name

3-(4-fluoroanilino)-1(3H)-isobenzofuranone

IUPAC name

3-[(4-fluorophenyl)amino]-13-dihydro-2-benzofuran-1-one

SMILES

O=C(c1c2cccc1)OC2Nc(cc1)ccc1F

InChI

InChI=1S/C14H10FNO2/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)14(17)18-13/h1-8,13,16H/t13-/m0/s1

InChI Key

MLQKCVWRZPCHDQ-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

243.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.853

Distribution Coefficient, logD

2.853

Water Solubility, LogSw

-3.53

Polar Surface Area

32.448

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.14

References: we are preparing a list of scientific research reports with Y600-1578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-1578?
Check Price and Availability of Y600-1578, 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 Y600-1578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-1578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-1578
  • 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 Y600-1578 available by request