5052-0134 Screening compound: 4-chloro-3-[(2-methoxyphenyl)amino]-5-oxo-2,5-dihydrofuran-2-yl 2-bromobenzoate

5052-0134 Screening compound: 4-chloro-3-[(2-methoxyphenyl)amino]-5-oxo-2,5-dihydrofuran-2-yl 2-bromobenzoate
5052-0134 Screening compound: 4-chloro-3-[(2-methoxyphenyl)amino]-5-oxo-2,5-dihydrofuran-2-yl 2-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5052-0134
4-chloro-3-[(2-methoxyphenyl)amino]-5-oxo-2,5-dihydrofuran-2-yl 2-bromobenzoate

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

5052-0134

Molecular Formula

C18H13BrClNO5 (C18 H13 BrClNO5)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1NC(C(OC(c(cccc1)c1Br)=O)OC1=O)=C1Cl

InChI

InChI=1S/C18H13BrClNO5/c1-24-13-9-5-4-8-12(13)21-15-14(20)17(23)26-18(15)25-16(22)10-6-2-3-7-11(10)19/h2-9,18,21H,1H3/t18-/m0/s1

InChI Key

YLLDMCYBQFBMSG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03448266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.66

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

4.194

Distribution Coefficient, logD

3.703

Water Solubility, LogSw

-4.53

Polar Surface Area

59.569

Acid Dissociation Constant (pKa)

7.08

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 5052-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5052-0134?
Check Price and Availability of 5052-0134, 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 5052-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5052-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5052-0134
  • 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 5052-0134 available by request