D754-0098 Screening compound: 1,3,6-trimethyl-N~4~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

D754-0098 Screening compound: 1,3,6-trimethyl-N~4~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
D754-0098 Screening compound: 1,3,6-trimethyl-N~4~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D754-0098
1,3,6-trimethyl-N~4~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-1H-pyrazolo[3,4-b]pyridine-4-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

D754-0098

Molecular Formula

C27H27N5O2 (C27 H27 N5 O2)

Compound Name

1,3,6-trimethyl-N~4~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

136-trimethyl-N-[(2S)-3-(1-oxo-23-dihydro-1H-isoindol-2-yl)-2-phenylpropyl]-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

Cc1nn(C)c2nc(C)cc(C(NC[C@@H](CN(Cc3c4cccc3)C4=O)c3ccccc3)=O)c12

InChI

InChI=1S/C27H27N5O2/c1-17-13-23(24-18(2)30-31(3)25(24)29-17)26(33)28-14-21(19-9-5-4-6-10-19)16-32-15-20-11-7-8-12-22(20)27(32)34/h4-13,21H,14-16H2,1-3H3,(H,28,33)/t21-/m0/s1

InChI Key

CKDMLPFWSAAKBA-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.395

Distribution Coefficient, logD

3.395

Water Solubility, LogSw

-3.86

Polar Surface Area

64.922

Acid Dissociation Constant (pKa)

13.44

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.93

D754-0098 in Drug Discovery

Included in Screening Libraries

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 D754-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D754-0098?
Check Price and Availability of D754-0098, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D754-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D754-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D754-0098
  • 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 D754-0098 available by request