D750-1394 Screening compound: 2-[1-benzyl-4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-4-piperidyl]-N-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide

D750-1394 Screening compound: 2-[1-benzyl-4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-4-piperidyl]-N-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
D750-1394 Screening compound: 2-[1-benzyl-4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-4-piperidyl]-N-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D750-1394
2-[1-benzyl-4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-4-piperidyl]-N-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]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

D750-1394

Molecular Formula

C26H30N6O2 (C26 H30 N6 O2)

Compound Name

2-[1-benzyl-4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-4-piperidyl]-N-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide

IUPAC name

2-[1-benzyl-4-(1-oxo-23-dihydro-1H-isoindol-2-yl)piperidin-4-yl]-N-[(1-methyl-1H-124-triazol-3-yl)methyl]acetamide

SMILES

Cn1nc(CNC(CC2(CCN(Cc3ccccc3)CC2)N(Cc2c3cccc2)C3=O)=O)nc1

InChI

InChI=1S/C26H30N6O2/c1-30-19-28-23(29-30)16-27-24(33)15-26(32-18-21-9-5-6-10-22(21)25(32)34)11-13-31(14-12-26)17-20-7-3-2-4-8-20/h2-10,19H,11-18H2,1H3,(H,27,33)

InChI Key

HOUYWJPNMXRQQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32223492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.835

Distribution Coefficient, logD

1.348

Water Solubility, LogSw

-2.68

Polar Surface Area

69.342

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

7.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

D750-1394 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)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D750-1394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D750-1394?
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What is the minimum amount of D750-1394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D750-1394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D750-1394
  • 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 D750-1394 available by request