5604-0100 Screening compound: 2-{2-[(1-phenyl-1H-pyrazol-3-yl)carbamoyl]ethyl}hexanoic acid

5604-0100 Screening compound: 2-{2-[(1-phenyl-1H-pyrazol-3-yl)carbamoyl]ethyl}hexanoic acid
5604-0100 Screening compound: 2-{2-[(1-phenyl-1H-pyrazol-3-yl)carbamoyl]ethyl}hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5604-0100
2-{2-[(1-phenyl-1H-pyrazol-3-yl)carbamoyl]ethyl}hexanoic acid

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

5604-0100

Molecular Formula

C18H23N3O3 (C18 H23 N3 O3)

Compound Name

2-{2-[(1-phenyl-1H-pyrazol-3-yl)carbamoyl]ethyl}hexanoic acid

IUPAC name

2-{2-[(1-phenyl-1H-pyrazol-3-yl)carbamoyl]ethyl}hexanoic acid

SMILES

CCCCC(CCC(Nc(cc1)nn1-c1ccccc1)=O)C(O)=O

InChI

InChI=1S/C18H23N3O3/c1-2-3-7-14(18(23)24)10-11-17(22)19-16-12-13-21(20-16)15-8-5-4-6-9-15/h4-6,8-9,12-14H,2-3,7,10-11H2,1H3,(H,23,24)(H,19,20,22)/t14-/m0/s1

InChI Key

VNWDGQMXXIEUAP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03666758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.680

Distribution Coefficient, logD

0.351

Water Solubility, LogSw

-2.94

Polar Surface Area

66.604

Acid Dissociation Constant (pKa)

5.07

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

5604-0100 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with 5604-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5604-0100?
Check Price and Availability of 5604-0100, 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 5604-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5604-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5604-0100
  • 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 5604-0100 available by request