5471-0151 Screening compound: (3-bromophenyl)methyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)propanoate

5471-0151 Screening compound: (3-bromophenyl)methyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)propanoate
5471-0151 Screening compound: (3-bromophenyl)methyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5471-0151
(3-bromophenyl)methyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)propanoate

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

5471-0151

Molecular Formula

C18H14BrNO4 (C18 H14 BrNO4)

Compound Name

(3-bromophenyl)methyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)propanoate

IUPAC name

(3-bromophenyl)methyl 2-(23-dioxo-23-dihydro-1H-indol-1-yl)propanoate

SMILES

CC(C(OCc1cccc(Br)c1)=O)N(c(cccc1)c1C1=O)C1=O

InChI

InChI=1S/C18H14BrNO4/c1-11(18(23)24-10-12-5-4-6-13(19)9-12)20-15-8-3-2-7-14(15)16(21)17(20)22/h2-9,11H,10H2,1H3/t11-/m0/s1

InChI Key

YZKABBGLDKTPAM-NSHDSACASA-N

MDL Number (MFCD)

MFCD03720563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.237

Distribution Coefficient, logD

3.237

Water Solubility, LogSw

-3.86

Polar Surface Area

49.324

Acid Dissociation Constant (pKa)

17.29

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

5471-0151 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5471-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5471-0151?
Check Price and Availability of 5471-0151, 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 5471-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5471-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5471-0151
  • 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 5471-0151 available by request