5052-0256 Screening compound: 4-chloro-3-[(3,4-dimethylphenyl)amino]-5-oxo-2,5-dihydrofuran-2-yl 2-methylbenzoate

5052-0256 Screening compound: 4-chloro-3-[(3,4-dimethylphenyl)amino]-5-oxo-2,5-dihydrofuran-2-yl 2-methylbenzoate
5052-0256 Screening compound: 4-chloro-3-[(3,4-dimethylphenyl)amino]-5-oxo-2,5-dihydrofuran-2-yl 2-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5052-0256
4-chloro-3-[(3,4-dimethylphenyl)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

5052-0256

Molecular Formula

C20H18ClNO4 (C20 H18 ClNO4)

Compound Name

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

IUPAC name

4-chloro-3-[(34-dimethylphenyl)amino]-5-oxo-25-dihydrofuran-2-yl 2-methylbenzoate

SMILES

Cc(cc1)c(C)cc1NC(C(OC(c1c(C)cccc1)=O)OC1=O)=C1Cl

InChI

InChI=1S/C20H18ClNO4/c1-11-8-9-14(10-13(11)3)22-17-16(21)19(24)26-20(17)25-18(23)15-7-5-4-6-12(15)2/h4-10,20,22H,1-3H3/t20-/m1/s1

InChI Key

KZWRECVTQZSRCD-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD03448282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.170

Distribution Coefficient, logD

5.142

Water Solubility, LogSw

-5.41

Polar Surface Area

52.636

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 5052-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5052-0256?
Check Price and Availability of 5052-0256, 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 5052-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5052-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5052-0256
  • 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 5052-0256 available by request