D750-1102 Screening compound: 2-[1-acetyl-4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-4-piperidyl]-N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]acetamide

D750-1102 Screening compound: 2-[1-acetyl-4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-4-piperidyl]-N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]acetamide
D750-1102 Screening compound: 2-[1-acetyl-4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-4-piperidyl]-N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D750-1102
2-[1-acetyl-4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-4-piperidyl]-N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]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

D750-1102

Molecular Formula

C24H31N5O3 (C24 H31 N5 O3)

Compound Name

2-[1-acetyl-4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-4-piperidyl]-N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]acetamide

IUPAC name

2-[1-acetyl-4-(1-oxo-23-dihydro-1H-isoindol-2-yl)piperidin-4-yl]-N-[2-(35-dimethyl-1H-pyrazol-1-yl)ethyl]acetamide

SMILES

CC(N(CC1)CCC1(CC(NCCn1nc(C)cc1C)=O)N(Cc1c2cccc1)C2=O)=O

InChI

InChI=1S/C24H31N5O3/c1-17-14-18(2)29(26-17)13-10-25-22(31)15-24(8-11-27(12-9-24)19(3)30)28-16-20-6-4-5-7-21(20)23(28)32/h4-7,14H,8-13,15-16H2,1-3H3,(H,25,31)

InChI Key

MEHIPZIMLYIHLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32223460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

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

0.398

Distribution Coefficient, logD

0.398

Water Solubility, LogSw

-2.32

Polar Surface Area

71.442

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D750-1102 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D750-1102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D750-1102?
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What is the minimum amount of D750-1102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D750-1102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D750-1102
  • 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 D750-1102 available by request