F569-0451 Screening compound: 2-({3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}sulfanyl)-N-(3-methylphenyl)butanamide

F569-0451 Screening compound: 2-({3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}sulfanyl)-N-(3-methylphenyl)butanamide
F569-0451 Screening compound: 2-({3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}sulfanyl)-N-(3-methylphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F569-0451
2-({3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}sulfanyl)-N-(3-methylphenyl)butanamide

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

F569-0451

Molecular Formula

C30H29N5OS (C30 H29 N5 OS)

Compound Name

2-({3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}sulfanyl)-N-(3-methylphenyl)butanamide

IUPAC name

2-({3-ethyl-16-diphenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}sulfanyl)-N-(3-methylphenyl)butanamide

SMILES

CCC(C(Nc1cc(C)ccc1)=O)Sc1nc(-c2ccccc2)nc2c1c(CC)nn2-c1ccccc1

InChI

InChI=1S/C30H29N5OS/c1-4-24-26-28(35(34-24)23-17-10-7-11-18-23)32-27(21-14-8-6-9-15-21)33-30(26)37-25(5-2)29(36)31-22-16-12-13-20(3)19-22/h6-19,25H,4-5H2,1-3H3,(H,31,36)/t25-/m0/s1

InChI Key

NVDBKHRYBSYBPQ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14959107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.866

Distribution Coefficient, logD

7.866

Water Solubility, LogSw

-5.93

Polar Surface Area

57.230

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

F569-0451 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with F569-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F569-0451?
Check Price and Availability of F569-0451, 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 F569-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F569-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F569-0451
  • 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 F569-0451 available by request