Y040-9188 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethyl-6-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

Y040-9188 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethyl-6-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Y040-9188 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethyl-6-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9188
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethyl-6-(propan-2-yl)-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

Y040-9188

Molecular Formula

C22H28N4O3 (C22 H28 N4 O3)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethyl-6-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-13-dimethyl-6-(propan-2-yl)-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

CC(C)c1cc(C(NCCc(cc2)cc(OC)c2OC)=O)c(c(C)nn2C)c2n1

InChI

InChI=1S/C22H28N4O3/c1-13(2)17-12-16(20-14(3)25-26(4)21(20)24-17)22(27)23-10-9-15-7-8-18(28-5)19(11-15)29-6/h7-8,11-13H,9-10H2,1-6H3,(H,23,27)

InChI Key

IDKHGKSVNQMPOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10915833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.642

Distribution Coefficient, logD

2.642

Water Solubility, LogSw

-3.22

Polar Surface Area

63.571

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

Y040-9188 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with Y040-9188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9188?
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What is the minimum amount of Y040-9188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9188
  • 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 Y040-9188 available by request