7407-0693 Screening compound: 5-bromo-1-butyl-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one

7407-0693 Screening compound: 5-bromo-1-butyl-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one
7407-0693 Screening compound: 5-bromo-1-butyl-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7407-0693
5-bromo-1-butyl-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-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

7407-0693

Molecular Formula

C19H22BrN3O3 (C19 H22 BrN3 O3)

Compound Name

5-bromo-1-butyl-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one

IUPAC name

5-bromo-1-butyl-3-[2-(35-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-23-dihydro-1H-indol-2-one

SMILES

CCCCN(C(C1(CC(c2c(C)[nH]nc2C)=O)O)=O)c(cc2)c1cc2Br

InChI

InChI=1S/C19H22BrN3O3/c1-4-5-8-23-15-7-6-13(20)9-14(15)19(26,18(23)25)10-16(24)17-11(2)21-22-12(17)3/h6-7,9,26H,4-5,8,10H2,1-3H3,(H,21,22)/t19-/m0/s1

InChI Key

XWTDYECLIFMEKL-IBGZPJMESA-N

MDL Number (MFCD)

MFCD06610933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.250

Distribution Coefficient, logD

3.250

Water Solubility, LogSw

-3.63

Polar Surface Area

68.208

Acid Dissociation Constant (pKa)

5.33

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

7407-0693 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 7407-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7407-0693?
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What is the minimum amount of 7407-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7407-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7407-0693
  • 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 7407-0693 available by request