E612-0158 Screening compound: N-[4-(diethylamino)-2-methylphenyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

E612-0158 Screening compound: N-[4-(diethylamino)-2-methylphenyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide
E612-0158 Screening compound: N-[4-(diethylamino)-2-methylphenyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0158
N-[4-(diethylamino)-2-methylphenyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

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

E612-0158

Molecular Formula

C27H29N3O2 (C27 H29 N3 O2)

Compound Name

N-[4-(diethylamino)-2-methylphenyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

IUPAC name

N-[4-(diethylamino)-2-methylphenyl]-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

SMILES

CCN(CC)c(cc1)cc(C)c1NC(C(c1ccccc1)N(Cc1c2cccc1)C2=O)=O

InChI

InChI=1S/C27H29N3O2/c1-4-29(5-2)22-15-16-24(19(3)17-22)28-26(31)25(20-11-7-6-8-12-20)30-18-21-13-9-10-14-23(21)27(30)32/h6-17,25H,4-5,18H2,1-3H3,(H,28,31)/t25-/m1/s1

InChI Key

NROSDXZYMOJQPR-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14903340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.104

Distribution Coefficient, logD

4.894

Water Solubility, LogSw

-4.86

Polar Surface Area

41.141

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

9.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

E612-0158 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E612-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0158?
Check Price and Availability of E612-0158, 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 E612-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0158
  • 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 E612-0158 available by request