3042-5093 Screening compound: 6-[3-(4-bromobenzoyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid

3042-5093 Screening compound: 6-[3-(4-bromobenzoyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
3042-5093 Screening compound: 6-[3-(4-bromobenzoyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3042-5093
6-[3-(4-bromobenzoyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic 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

3042-5093

Molecular Formula

C25H26BrNO7 (C25 H26 BrNO7)

Compound Name

6-[3-(4-bromobenzoyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid

IUPAC name

6-[3-(4-bromobenzoyl)-2-(34-dimethoxyphenyl)-4-hydroxy-5-oxo-25-dihydro-1H-pyrrol-1-yl]hexanoic acid

SMILES

COc(ccc(C(C(C(c(cc1)ccc1Br)=O)=C1O)N(CCCCCC(O)=O)C1=O)c1)c1OC

InChI

InChI=1S/C25H26BrNO7/c1-33-18-12-9-16(14-19(18)34-2)22-21(23(30)15-7-10-17(26)11-8-15)24(31)25(32)27(22)13-5-3-4-6-20(28)29/h7-12,14,22,31H,3-6,13H2,1-2H3,(H,28,29)/t22-/m1/s1

InChI Key

IWYVGFIQOUCMCP-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD01832327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.380

Distribution Coefficient, logD

0.552

Water Solubility, LogSw

-3.48

Polar Surface Area

88.721

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

-4.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with 3042-5093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3042-5093?
Check Price and Availability of 3042-5093, 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 3042-5093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3042-5093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3042-5093
  • 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 3042-5093 available by request