J004-1326 Screening compound: (4-chloro-1-ethyl-1H-pyrazol-5-yl)[2-(5-isopropyl-3-isoxazolyl)-1-pyrrolidinyl]methanone

J004-1326 Screening compound: (4-chloro-1-ethyl-1H-pyrazol-5-yl)[2-(5-isopropyl-3-isoxazolyl)-1-pyrrolidinyl]methanone
J004-1326 Screening compound: (4-chloro-1-ethyl-1H-pyrazol-5-yl)[2-(5-isopropyl-3-isoxazolyl)-1-pyrrolidinyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound J004-1326
(4-chloro-1-ethyl-1H-pyrazol-5-yl)[2-(5-isopropyl-3-isoxazolyl)-1-pyrrolidinyl]methanone

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

J004-1326

Molecular Formula

C16H21ClN4O2 (C16 H21 ClN4 O2)

Compound Name

(4-chloro-1-ethyl-1H-pyrazol-5-yl)[2-(5-isopropyl-3-isoxazolyl)-1-pyrrolidinyl]methanone

IUPAC name

n/a

SMILES

CCn1ncc(Cl)c1C(N(CCC1)C1c1noc(C(C)C)c1)=O

InChI

InChI=1S/C16H21ClN4O2/c1-4-21-15(11(17)9-18-21)16(22)20-7-5-6-13(20)12-8-14(10(2)3)23-19-12/h8-10,13H,4-7H2,1-3H3/t13-/m0/s1

InChI Key

BRFIFYBISHRXGQ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27214960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.778

Distribution Coefficient, logD

2.778

Water Solubility, LogSw

-3.23

Polar Surface Area

51.436

Acid Dissociation Constant (pKa)

24.20

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

J004-1326 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J004-1326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J004-1326?
Check Price and Availability of J004-1326, 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 J004-1326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J004-1326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J004-1326
  • 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 J004-1326 available by request