CM4573-3896 Screening compound: 1-{[4,4-difluoro-1-(6-methylpyridine-3-carbonyl)pyrrolidin-2-yl]methyl}-4-methylpiperazine

CM4573-3896 Screening compound: 1-{[4,4-difluoro-1-(6-methylpyridine-3-carbonyl)pyrrolidin-2-yl]methyl}-4-methylpiperazine
CM4573-3896 Screening compound: 1-{[4,4-difluoro-1-(6-methylpyridine-3-carbonyl)pyrrolidin-2-yl]methyl}-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4573-3896
1-{[4,4-difluoro-1-(6-methylpyridine-3-carbonyl)pyrrolidin-2-yl]methyl}-4-methylpiperazine

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

CM4573-3896

Molecular Formula

C17H24F2N4O (C17 H24 F2 N4 O)

Compound Name

1-{[4,4-difluoro-1-(6-methylpyridine-3-carbonyl)pyrrolidin-2-yl]methyl}-4-methylpiperazine

IUPAC name

1-{[(2S)-44-difluoro-1-(6-methylpyridine-3-carbonyl)pyrrolidin-2-yl]methyl}-4-methylpiperazine

SMILES

Cc(cc1)ncc1C(N(C1)[C@H](CN2CCN(C)CC2)CC1(F)F)=O

InChI

InChI=1S/C17H24F2N4O/c1-13-3-4-14(10-20-13)16(24)23-12-17(18,19)9-15(23)11-22-7-5-21(2)6-8-22/h3-4,10,15H,5-9,11-12H2,1-2H3/t15-/m1/s1

InChI Key

HWCGOZADNZPFPI-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.927

Distribution Coefficient, logD

0.223

Water Solubility, LogSw

-1.46

Polar Surface Area

32.985

Acid Dissociation Constant (pKa)

24.82

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.71

CM4573-3896 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with CM4573-3896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4573-3896?
Check Price and Availability of CM4573-3896, 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 CM4573-3896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4573-3896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4573-3896
  • 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 CM4573-3896 available by request