4904-5773 Screening compound: 1-[3-(3-iodophenyl)-4-oxa-1,2-diazaspiro[4.4]non-2-en-1-yl]ethan-1-one

4904-5773 Screening compound: 1-[3-(3-iodophenyl)-4-oxa-1,2-diazaspiro[4.4]non-2-en-1-yl]ethan-1-one
4904-5773 Screening compound: 1-[3-(3-iodophenyl)-4-oxa-1,2-diazaspiro[4.4]non-2-en-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4904-5773
1-[3-(3-iodophenyl)-4-oxa-1,2-diazaspiro[4.4]non-2-en-1-yl]ethan-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

4904-5773

Molecular Formula

C14H15IN2O2 (C14 H15 IN2 O2)

Compound Name

1-[3-(3-iodophenyl)-4-oxa-1,2-diazaspiro[4.4]non-2-en-1-yl]ethan-1-one

IUPAC name

1-[3-(3-iodophenyl)-4-oxa-12-diazaspiro[4.4]non-2-en-1-yl]ethan-1-one

SMILES

CC(N1N=C(c2cccc(I)c2)OC11CCCC1)=O

InChI

InChI=1S/C14H15IN2O2/c1-10(18)17-14(7-2-3-8-14)19-13(16-17)11-5-4-6-12(15)9-11/h4-6,9H,2-3,7-8H2,1H3

InChI Key

HJDHWCGCDKNBKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01612616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.329

Distribution Coefficient, logD

3.329

Water Solubility, LogSw

-3.64

Polar Surface Area

34.423

Acid Dissociation Constant (pKa)

24.99

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

4904-5773 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4904-5773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4904-5773?
Check Price and Availability of 4904-5773, 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 4904-5773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4904-5773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4904-5773
  • 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 4904-5773 available by request