1688-0098 Screening compound: 2-chloro-N-(1,2-dihydroacenaphthylen-5-yl)-5-iodobenzamide

1688-0098 Screening compound: 2-chloro-N-(1,2-dihydroacenaphthylen-5-yl)-5-iodobenzamide
1688-0098 Screening compound: 2-chloro-N-(1,2-dihydroacenaphthylen-5-yl)-5-iodobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1688-0098
2-chloro-N-(1,2-dihydroacenaphthylen-5-yl)-5-iodobenzamide

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

1688-0098

Molecular Formula

C19H13ClINO (C19 H13 ClINO)

Compound Name

2-chloro-N-(1,2-dihydroacenaphthylen-5-yl)-5-iodobenzamide

IUPAC name

2-chloro-N-(12-dihydroacenaphthylen-5-yl)-5-iodobenzamide

SMILES

O=C(c(cc(cc1)I)c1Cl)Nc1ccc(CC2)c3c2cccc13

InChI

InChI=1S/C19H13ClINO/c20-16-8-7-13(21)10-15(16)19(23)22-17-9-6-12-5-4-11-2-1-3-14(17)18(11)12/h1-3,6-10H,4-5H2,(H,22,23)

InChI Key

IFLUZYWOCIFCIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01040403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.68

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.921

Distribution Coefficient, logD

6.406

Water Solubility, LogSw

-6.80

Polar Surface Area

22.647

Acid Dissociation Constant (pKa)

7.04

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 1688-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1688-0098?
Check Price and Availability of 1688-0098, 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 1688-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1688-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1688-0098
  • 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 1688-0098 available by request