E787-0696 Screening compound: 3-(4-ethoxy-3-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

E787-0696 Screening compound: 3-(4-ethoxy-3-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide
E787-0696 Screening compound: 3-(4-ethoxy-3-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-0696
3-(4-ethoxy-3-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

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

E787-0696

Molecular Formula

C24H25N3O4S (C24 H25 N3 O4 S)

Compound Name

3-(4-ethoxy-3-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

IUPAC name

3-(4-ethoxy-3-methoxyphenyl)-N-(4-methyl-13-thiazol-2-yl)-3-(1-oxo-23-dihydro-1H-isoindol-2-yl)propanamide

SMILES

CCOc(ccc(C(CC(Nc1nc(C)cs1)=O)N(Cc1c2cccc1)C2=O)c1)c1OC

InChI

InChI=1S/C24H25N3O4S/c1-4-31-20-10-9-16(11-21(20)30-3)19(12-22(28)26-24-25-15(2)14-32-24)27-13-17-7-5-6-8-18(17)23(27)29/h5-11,14,19H,4,12-13H2,1-3H3,(H,25,26,28)/t19-/m0/s1

InChI Key

WXESBQGWJPHIDD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14919576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.674

Distribution Coefficient, logD

3.622

Water Solubility, LogSw

-3.85

Polar Surface Area

63.547

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

E787-0696 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 E787-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-0696?
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What is the minimum amount of E787-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-0696
  • 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 E787-0696 available by request