C612-0517 Screening compound: 2-(5-chloropyridin-2-yl)-3-[(2,4-dibromophenyl)amino]-2,3-dihydro-1H-isoindol-1-one

C612-0517 Screening compound: 2-(5-chloropyridin-2-yl)-3-[(2,4-dibromophenyl)amino]-2,3-dihydro-1H-isoindol-1-one
C612-0517 Screening compound: 2-(5-chloropyridin-2-yl)-3-[(2,4-dibromophenyl)amino]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-0517
2-(5-chloropyridin-2-yl)-3-[(2,4-dibromophenyl)amino]-2,3-dihydro-1H-isoindol-1-one

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

C612-0517

Molecular Formula

C19H12Br2ClN3O (C19 H12 Br2 ClN3 O)

Compound Name

2-(5-chloropyridin-2-yl)-3-[(2,4-dibromophenyl)amino]-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-(5-chloropyridin-2-yl)-3-[(24-dibromophenyl)amino]-23-dihydro-1H-isoindol-1-one

SMILES

O=C(c1c(C2Nc(ccc(Br)c3)c3Br)cccc1)N2c(cc1)ncc1Cl

InChI

InChI=1S/C19H12Br2ClN3O/c20-11-5-7-16(15(21)9-11)24-18-13-3-1-2-4-14(13)19(26)25(18)17-8-6-12(22)10-23-17/h1-10,18,24H/t18-/m0/s1

InChI Key

KJOWPCLFNWVZEP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14775648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.886

Distribution Coefficient, logD

5.886

Water Solubility, LogSw

-6.05

Polar Surface Area

32.294

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with C612-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0517?
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What is the minimum amount of C612-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0517
  • 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 C612-0517 available by request