F644-0136 Screening compound: 3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-N-(4-acetamidophenyl)propanamide

F644-0136 Screening compound: 3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-N-(4-acetamidophenyl)propanamide
F644-0136 Screening compound: 3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-N-(4-acetamidophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F644-0136
3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-N-(4-acetamidophenyl)propanamide

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

F644-0136

Molecular Formula

C24H29N7O2 (C24 H29 N7 O2)

Compound Name

3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-N-(4-acetamidophenyl)propanamide

IUPAC name

3-{35-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-N-(4-acetamidophenyl)propanamide

SMILES

CC(Nc(cc1)ccc1NC(CCc1c(C)n(-c2ncnc(N3CCCC3)c2)nc1C)=O)=O

InChI

InChI=1S/C24H29N7O2/c1-16-21(10-11-24(33)28-20-8-6-19(7-9-20)27-18(3)32)17(2)31(29-16)23-14-22(25-15-26-23)30-12-4-5-13-30/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,27,32)(H,28,33)

InChI Key

LQBYRDDHDCIRKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27181906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.053

Distribution Coefficient, logD

3.019

Water Solubility, LogSw

-3.38

Polar Surface Area

83.351

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

F644-0136 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F644-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F644-0136?
Check Price and Availability of F644-0136, 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 F644-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F644-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F644-0136
  • 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 F644-0136 available by request