K212-0083 Screening compound: 2-[2-(4-bromobenzoyl)-4-methylphenyl]-4-fluoro-2,3-dihydro-1H-isoindole-1,3-dione

K212-0083 Screening compound: 2-[2-(4-bromobenzoyl)-4-methylphenyl]-4-fluoro-2,3-dihydro-1H-isoindole-1,3-dione
K212-0083 Screening compound: 2-[2-(4-bromobenzoyl)-4-methylphenyl]-4-fluoro-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K212-0083
2-[2-(4-bromobenzoyl)-4-methylphenyl]-4-fluoro-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

K212-0083

Molecular Formula

C22H13BrFNO3 (C22 H13 BrFNO3)

Compound Name

2-[2-(4-bromobenzoyl)-4-methylphenyl]-4-fluoro-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[2-(4-bromobenzoyl)-4-methylphenyl]-4-fluoro-23-dihydro-1H-isoindole-13-dione

SMILES

Cc(cc1)cc(C(c(cc2)ccc2Br)=O)c1N(C(c1c2c(F)ccc1)=O)C2=O

InChI

InChI=1S/C22H13BrFNO3/c1-12-5-10-18(16(11-12)20(26)13-6-8-14(23)9-7-13)25-21(27)15-3-2-4-17(24)19(15)22(25)28/h2-11H,1H3

InChI Key

XWNDFMVHYNXRTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.498

Distribution Coefficient, logD

4.498

Water Solubility, LogSw

-4.60

Polar Surface Area

42.046

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.55

K212-0083 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K212-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K212-0083?
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What is the minimum amount of K212-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K212-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K212-0083
  • 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 K212-0083 available by request