4204-0058 Screening compound: N-[1,4-dioxo-3-(pyrrolidin-1-yl)-1,4-dihydronaphthalen-2-yl]-N-(3-iodophenyl)acetamide

4204-0058 Screening compound: N-[1,4-dioxo-3-(pyrrolidin-1-yl)-1,4-dihydronaphthalen-2-yl]-N-(3-iodophenyl)acetamide
4204-0058 Screening compound: N-[1,4-dioxo-3-(pyrrolidin-1-yl)-1,4-dihydronaphthalen-2-yl]-N-(3-iodophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4204-0058
N-[1,4-dioxo-3-(pyrrolidin-1-yl)-1,4-dihydronaphthalen-2-yl]-N-(3-iodophenyl)acetamide

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

4204-0058

Molecular Formula

C22H19IN2O3 (C22 H19 IN2 O3)

Compound Name

N-[1,4-dioxo-3-(pyrrolidin-1-yl)-1,4-dihydronaphthalen-2-yl]-N-(3-iodophenyl)acetamide

IUPAC name

N-[14-dioxo-3-(pyrrolidin-1-yl)-14-dihydronaphthalen-2-yl]-N-(3-iodophenyl)acetamide

SMILES

CC(N(c1cccc(I)c1)C(C(c(cccc1)c1C1=O)=O)=C1N1CCCC1)=O

InChI

InChI=1S/C22H19IN2O3/c1-14(26)25(16-8-6-7-15(23)13-16)20-19(24-11-4-5-12-24)21(27)17-9-2-3-10-18(17)22(20)28/h2-3,6-10,13H,4-5,11-12H2,1H3

InChI Key

WARUZXQWAKTAPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.519

Distribution Coefficient, logD

4.519

Water Solubility, LogSw

-4.40

Polar Surface Area

45.717

Acid Dissociation Constant (pKa)

21.28

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 4204-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4204-0058?
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What is the minimum amount of 4204-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4204-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4204-0058
  • 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 4204-0058 available by request