K212-0005 Screening compound: 2-[4-(1,3-benzoxazol-2-yl)phenyl]-4,5,6,7-tetrachloro-2,3-dihydro-1H-isoindole-1,3-dione

K212-0005 Screening compound: 2-[4-(1,3-benzoxazol-2-yl)phenyl]-4,5,6,7-tetrachloro-2,3-dihydro-1H-isoindole-1,3-dione
K212-0005 Screening compound: 2-[4-(1,3-benzoxazol-2-yl)phenyl]-4,5,6,7-tetrachloro-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K212-0005
2-[4-(1,3-benzoxazol-2-yl)phenyl]-4,5,6,7-tetrachloro-2,3-dihydro-1H-isoindole-1,3-dione

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

K212-0005

Molecular Formula

C21H8Cl4N2O3 (C21 H8 Cl4 N2 O3)

Compound Name

2-[4-(1,3-benzoxazol-2-yl)phenyl]-4,5,6,7-tetrachloro-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[4-(13-benzoxazol-2-yl)phenyl]-4567-tetrachloro-23-dihydro-1H-isoindole-13-dione

SMILES

O=C(c(c(C1=O)c(c(Cl)c2Cl)Cl)c2Cl)N1c(cc1)ccc1-c1nc(cccc2)c2o1

InChI

InChI=1S/C21H8Cl4N2O3/c22-15-13-14(16(23)18(25)17(15)24)21(29)27(20(13)28)10-7-5-9(6-8-10)19-26-11-3-1-2-4-12(11)30-19/h1-8H

InChI Key

WBXBOFLIPUTZPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01844340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.12

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.616

Distribution Coefficient, logD

5.616

Water Solubility, LogSw

-7.17

Polar Surface Area

45.690

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with K212-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K212-0005?
Check Price and Availability of K212-0005, 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 K212-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K212-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K212-0005
  • 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 K212-0005 available by request