K212-0052 Screening compound: 4-fluoro-2-{4-[5-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]phenyl}-2,3-dihydro-1H-isoindole-1,3-dione

K212-0052 Screening compound: 4-fluoro-2-{4-[5-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]phenyl}-2,3-dihydro-1H-isoindole-1,3-dione
K212-0052 Screening compound: 4-fluoro-2-{4-[5-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]phenyl}-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K212-0052
4-fluoro-2-{4-[5-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]phenyl}-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

K212-0052

Molecular Formula

C24H18FN3O2 (C24 H18 FN3 O2)

Compound Name

4-fluoro-2-{4-[5-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]phenyl}-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

4-fluoro-2-{4-[5-(propan-2-yl)-1H-13-benzodiazol-2-yl]phenyl}-23-dihydro-1H-isoindole-13-dione

SMILES

CC(C)c(cc1)cc2c1[nH]c(-c(cc1)ccc1N(C(c1cccc(F)c11)=O)C1=O)n2

InChI

InChI=1S/C24H18FN3O2/c1-13(2)15-8-11-19-20(12-15)27-22(26-19)14-6-9-16(10-7-14)28-23(29)17-4-3-5-18(25)21(17)24(28)30/h3-13H,1-2H3,(H,26,27)

InChI Key

SNWFTUZRRZINES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01844353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.614

Distribution Coefficient, logD

4.608

Water Solubility, LogSw

-4.56

Polar Surface Area

47.899

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

K212-0052 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K212-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K212-0052?
Check Price and Availability of K212-0052, 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 K212-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K212-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K212-0052
  • 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 K212-0052 available by request