8001-9497 Screening compound: N1-[(Z)-2-(1

8001-9497 Screening compound: N1-[(Z)-2-(1
8001-9497 Screening compound: N1-[(Z)-2-(1 alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-9497
N1-[(Z)-2-(1

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

8001-9497

Molecular Formula

C24H18IN3O5 (C24 H18 IN3 O5)

Compound Name

N1-[(Z)-2-(1

IUPAC name

n/a

SMILES

Oc(cc1)c(/C=N\NC(/C(/NC(c2ccccc2)=O)=C/c(cc2)cc3c2OCO3)=O)cc1I

InChI

InChI=1S/C24H18IN3O5/c25-18-7-8-20(29)17(12-18)13-26-28-24(31)19(27-23(30)16-4-2-1-3-5-16)10-15-6-9-21-22(11-15)33-14-32-21/h1-13,29H,14H2,(H,27,30)(H,28,31)

InChI Key

OTHLBYHBBVQCJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00321810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.483

Distribution Coefficient, logD

3.907

Water Solubility, LogSw

-5.54

Polar Surface Area

91.142

Acid Dissociation Constant (pKa)

5.84

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

8001-9497 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8001-9497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-9497?
Check Price and Availability of 8001-9497, 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 8001-9497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-9497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-9497
  • 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 8001-9497 available by request