5737-0002 Screening compound: 9-[3-(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)-2-HYDROXYPROPYL]-2-METHYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-ONE

5737-0002 Screening compound: 9-[3-(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)-2-HYDROXYPROPYL]-2-METHYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-ONE
5737-0002 Screening compound: 9-[3-(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)-2-HYDROXYPROPYL]-2-METHYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5737-0002
9-[3-(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)-2-HYDROXYPROPYL]-2-METHYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-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

5737-0002

Molecular Formula

C20H23BrN4O2 (C20 H23 BrN4 O2)

Compound Name

9-[3-(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)-2-HYDROXYPROPYL]-2-METHYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-ONE

IUPAC name

n/a

SMILES

Cc(n(CC(Cn1c(C(N(C)CC2)=O)c2c2c1cccc2)O)nc1C)c1Br

InChI

InChI=1S/C20H23BrN4O2/c1-12-18(21)13(2)25(22-12)11-14(26)10-24-17-7-5-4-6-15(17)16-8-9-23(3)20(27)19(16)24/h4-7,14,26H,8-11H2,1-3H3/t14-/m0/s1

InChI Key

OUTRNROAVINECG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03660780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.205

Distribution Coefficient, logD

2.205

Water Solubility, LogSw

-2.35

Polar Surface Area

48.586

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.00

5737-0002 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5737-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5737-0002?
Check Price and Availability of 5737-0002, 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 5737-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5737-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5737-0002
  • 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 5737-0002 available by request