Y040-9061 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-6-methyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

Y040-9061 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-6-methyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Y040-9061 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-6-methyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9061
N-[2-(cyclohex-1-en-1-yl)ethyl]-6-methyl-1-(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

Y040-9061

Molecular Formula

C19H26N4O (C19 H26 N4 O)

Compound Name

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

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-6-methyl-1-(propan-2-yl)-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

CC(C)n(c1nc(C)c2)ncc1c2C(NCCC1=CCCCC1)=O

InChI

InChI=1S/C19H26N4O/c1-13(2)23-18-17(12-21-23)16(11-14(3)22-18)19(24)20-10-9-15-7-5-4-6-8-15/h7,11-13H,4-6,8-10H2,1-3H3,(H,20,24)

InChI Key

FIMIBCNHOXKMIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13757609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.463

Distribution Coefficient, logD

3.463

Water Solubility, LogSw

-3.63

Polar Surface Area

48.138

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.63

Y040-9061 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with Y040-9061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9061?
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What is the minimum amount of Y040-9061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9061
  • 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 Y040-9061 available by request