K906-0360 Screening compound: 5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)-6-nitro-2,3-dihydro-1H-isoindole-1,3-dione

K906-0360 Screening compound: 5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)-6-nitro-2,3-dihydro-1H-isoindole-1,3-dione
K906-0360 Screening compound: 5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)-6-nitro-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-0360
5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)-6-nitro-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

K906-0360

Molecular Formula

C27H26N4O4 (C27 H26 N4 O4)

Compound Name

5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)-6-nitro-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)-6-nitro-23-dihydro-1H-isoindole-13-dione

SMILES

CC(CN(CC1)c(cc(c(C(N2c3ccc(C)cc3)=O)c3)C2=O)c3[N+]([O-])=O)N1c1cc(C)ccc1

InChI

InChI=1S/C27H26N4O4/c1-17-7-9-20(10-8-17)30-26(32)22-14-24(25(31(34)35)15-23(22)27(30)33)28-11-12-29(19(3)16-28)21-6-4-5-18(2)13-21/h4-10,13-15,19H,11-12,16H2,1-3H3/t19-/m0/s1

InChI Key

GLTPYYSJRRPUIW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15112130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.363

Distribution Coefficient, logD

5.363

Water Solubility, LogSw

-5.36

Polar Surface Area

67.591

Acid Dissociation Constant (pKa)

25.72

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

K906-0360 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 K906-0360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-0360?
Check Price and Availability of K906-0360, 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 K906-0360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-0360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-0360
  • 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 K906-0360 available by request