3141-0496 Screening compound: 4-(4-bromobenzoyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(2-hydroxyethyl)-2,5-dihydro-1H-pyrrol-2-one

3141-0496 Screening compound: 4-(4-bromobenzoyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(2-hydroxyethyl)-2,5-dihydro-1H-pyrrol-2-one
3141-0496 Screening compound: 4-(4-bromobenzoyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(2-hydroxyethyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3141-0496
4-(4-bromobenzoyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(2-hydroxyethyl)-2,5-dihydro-1H-pyrrol-2-one

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

3141-0496

Molecular Formula

C21H20BrNO6 (C21 H20 BrNO6)

Compound Name

4-(4-bromobenzoyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(2-hydroxyethyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-(4-bromobenzoyl)-5-(34-dimethoxyphenyl)-3-hydroxy-1-(2-hydroxyethyl)-25-dihydro-1H-pyrrol-2-one

SMILES

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

InChI

InChI=1S/C21H20BrNO6/c1-28-15-8-5-13(11-16(15)29-2)18-17(20(26)21(27)23(18)9-10-24)19(25)12-3-6-14(22)7-4-12/h3-8,11,18,24,26H,9-10H2,1-2H3/t18-/m1/s1

InChI Key

ABLYPFGJRDZWBV-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01819763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.568

Distribution Coefficient, logD

2.566

Water Solubility, LogSw

-2.70

Polar Surface Area

76.993

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-5.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 3141-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3141-0496?
Check Price and Availability of 3141-0496, 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 3141-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3141-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3141-0496
  • 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 3141-0496 available by request