D753-0274 Screening compound: 2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}acetamide

D753-0274 Screening compound: 2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}acetamide
D753-0274 Screening compound: 2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D753-0274
2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}acetamide

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

D753-0274

Molecular Formula

C27H29N3O3S (C27 H29 N3 O3 S)

Compound Name

2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}acetamide

IUPAC name

2-[2-(3-methoxyphenyl)-13-thiazol-4-yl]-N-[(1r4r)-4-[(1-oxo-23-dihydro-1H-isoindol-2-yl)methyl]cyclohexyl]acetamide

SMILES

COc1cccc(-c2nc(CC(N[C@H]3CC[C@H](CN(Cc4c5cccc4)C5=O)CC3)=O)cs2)c1

InChI

InChI=1S/C27H29N3O3S/c1-33-23-7-4-6-19(13-23)26-29-22(17-34-26)14-25(31)28-21-11-9-18(10-12-21)15-30-16-20-5-2-3-8-24(20)27(30)32/h2-8,13,17-18,21H,9-12,14-16H2,1H3,(H,28,31)

InChI Key

BGZMMEMRXIAIFS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.658

Distribution Coefficient, logD

4.658

Water Solubility, LogSw

-4.62

Polar Surface Area

58.583

Acid Dissociation Constant (pKa)

15.59

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.04

D753-0274 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D753-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D753-0274?
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What is the minimum amount of D753-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D753-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D753-0274
  • 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 D753-0274 available by request