D753-0210 Screening compound: 1'-ethyl-3',5'-dimethyl-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-1'H,2H-3,4'-bipyrazole-5-carboxamide

D753-0210 Screening compound: 1'-ethyl-3',5'-dimethyl-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-1'H,2H-3,4'-bipyrazole-5-carboxamide
D753-0210 Screening compound: 1'-ethyl-3',5'-dimethyl-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-1'H,2H-3,4'-bipyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D753-0210
1'-ethyl-3',5'-dimethyl-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-1'H,2H-3,4'-bipyrazole-5-carboxamide

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

D753-0210

Molecular Formula

C26H32N6O2 (C26 H32 N6 O2)

Compound Name

1'-ethyl-3',5'-dimethyl-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-1'H,2H-3,4'-bipyrazole-5-carboxamide

IUPAC name

1'-ethyl-3'5'-dimethyl-N-[(1r4r)-4-[(1-oxo-23-dihydro-1H-isoindol-2-yl)methyl]cyclohexyl]-1'H2H-[34'-bipyrazole]-5-carboxamide

SMILES

CCn1nc(C)c(-c2cc(C(N[C@H]3CC[C@H](CN(Cc4c5cccc4)C5=O)CC3)=O)n[nH]2)c1C

InChI

InChI=1S/C26H32N6O2/c1-4-32-17(3)24(16(2)30-32)22-13-23(29-28-22)25(33)27-20-11-9-18(10-12-20)14-31-15-19-7-5-6-8-21(19)26(31)34/h5-8,13,18,20H,4,9-12,14-15H2,1-3H3,(H,27,33)(H,28,29)

InChI Key

HXSMQUOZHLDWBM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.846

Distribution Coefficient, logD

2.846

Water Solubility, LogSw

-3.60

Polar Surface Area

77.791

Acid Dissociation Constant (pKa)

6.74

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

D753-0210 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 D753-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D753-0210?
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What is the minimum amount of D753-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D753-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D753-0210
  • 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 D753-0210 available by request