5241-0273 Screening compound: 5-bromo-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxy-1-methyl-2,3-dihydro-1H-indol-2-one

5241-0273 Screening compound: 5-bromo-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxy-1-methyl-2,3-dihydro-1H-indol-2-one
5241-0273 Screening compound: 5-bromo-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxy-1-methyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5241-0273
5-bromo-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxy-1-methyl-2,3-dihydro-1H-indol-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

5241-0273

Molecular Formula

C21H22BrNO3 (C21 H22 BrNO3)

Compound Name

5-bromo-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxy-1-methyl-2,3-dihydro-1H-indol-2-one

IUPAC name

5-bromo-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxy-1-methyl-23-dihydro-1H-indol-2-one

SMILES

CC(C)(C)c(cc1)ccc1C(CC(c(cc(cc1)Br)c1N1C)(C1=O)O)=O

InChI

InChI=1S/C21H22BrNO3/c1-20(2,3)14-7-5-13(6-8-14)18(24)12-21(26)16-11-15(22)9-10-17(16)23(4)19(21)25/h5-11,26H,12H2,1-4H3/t21-/m0/s1

InChI Key

RRHTVLGCCBFBMK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD05026510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.328

Distribution Coefficient, logD

4.328

Water Solubility, LogSw

-4.26

Polar Surface Area

44.080

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 5241-0273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5241-0273?
Check Price and Availability of 5241-0273, 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 5241-0273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5241-0273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5241-0273
  • 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 5241-0273 available by request