4884-9075 Screening compound: 4-[3-(4-bromobenzoyl)-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid

4884-9075 Screening compound: 4-[3-(4-bromobenzoyl)-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
4884-9075 Screening compound: 4-[3-(4-bromobenzoyl)-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4884-9075
4-[3-(4-bromobenzoyl)-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid

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

4884-9075

Molecular Formula

C22H20BrNO6 (C22 H20 BrNO6)

Compound Name

4-[3-(4-bromobenzoyl)-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid

IUPAC name

4-[3-(4-bromobenzoyl)-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-25-dihydro-1H-pyrrol-1-yl]butanoic acid

SMILES

COc1c(C(C(C(c(cc2)ccc2Br)=O)=C2O)N(CCCC(O)=O)C2=O)cccc1

InChI

InChI=1S/C22H20BrNO6/c1-30-16-6-3-2-5-15(16)19-18(20(27)13-8-10-14(23)11-9-13)21(28)22(29)24(19)12-4-7-17(25)26/h2-3,5-6,8-11,19,28H,4,7,12H2,1H3,(H,25,26)/t19-/m1/s1

InChI Key

UOTBTJIAMWZPKN-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14710245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.839

Distribution Coefficient, logD

0.018

Water Solubility, LogSw

-3.24

Polar Surface Area

81.091

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

-5.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 4884-9075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4884-9075?
Check Price and Availability of 4884-9075, 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 4884-9075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4884-9075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4884-9075
  • 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 4884-9075 available by request