5052-0252 Screening compound: 4-chloro-3-[(4-methoxyphenyl)amino]-5-oxo-2,5-dihydrofuran-2-yl 2-methylbenzoate

5052-0252 Screening compound: 4-chloro-3-[(4-methoxyphenyl)amino]-5-oxo-2,5-dihydrofuran-2-yl 2-methylbenzoate
5052-0252 Screening compound: 4-chloro-3-[(4-methoxyphenyl)amino]-5-oxo-2,5-dihydrofuran-2-yl 2-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5052-0252
4-chloro-3-[(4-methoxyphenyl)amino]-5-oxo-2,5-dihydrofuran-2-yl 2-methylbenzoate

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

5052-0252

Molecular Formula

C19H16ClNO5 (C19 H16 ClNO5)

Compound Name

4-chloro-3-[(4-methoxyphenyl)amino]-5-oxo-2,5-dihydrofuran-2-yl 2-methylbenzoate

IUPAC name

4-chloro-3-[(4-methoxyphenyl)amino]-5-oxo-25-dihydrofuran-2-yl 2-methylbenzoate

SMILES

Cc(cccc1)c1C(OC(C(Nc(cc1)ccc1OC)=C1Cl)OC1=O)=O

InChI

InChI=1S/C19H16ClNO5/c1-11-5-3-4-6-14(11)17(22)25-19-16(15(20)18(23)26-19)21-12-7-9-13(24-2)10-8-12/h3-10,19,21H,1-2H3/t19-/m1/s1

InChI Key

GNHDTOHREACNEW-LJQANCHMSA-N

MDL Number (MFCD)

MFCD03448279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.165

Distribution Coefficient, logD

4.101

Water Solubility, LogSw

-4.49

Polar Surface Area

60.180

Acid Dissociation Constant (pKa)

8.20

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

5052-0252 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5052-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5052-0252?
Check Price and Availability of 5052-0252, 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 5052-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5052-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5052-0252
  • 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 5052-0252 available by request