F438-0393 Screening compound: 3-[(4-{1H,4H-chromeno[4,3-c]pyrazole-3-carbonyl}piperazin-1-yl)methyl]-1-methyl-1H-indole

F438-0393 Screening compound: 3-[(4-{1H,4H-chromeno[4,3-c]pyrazole-3-carbonyl}piperazin-1-yl)methyl]-1-methyl-1H-indole
F438-0393 Screening compound: 3-[(4-{1H,4H-chromeno[4,3-c]pyrazole-3-carbonyl}piperazin-1-yl)methyl]-1-methyl-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound F438-0393
3-[(4-{1H,4H-chromeno[4,3-c]pyrazole-3-carbonyl}piperazin-1-yl)methyl]-1-methyl-1H-indole

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

F438-0393

Molecular Formula

C25H25N5O2 (C25 H25 N5 O2)

Compound Name

3-[(4-{1H,4H-chromeno[4,3-c]pyrazole-3-carbonyl}piperazin-1-yl)methyl]-1-methyl-1H-indole

IUPAC name

3-[(4-{1H4H-chromeno[43-c]pyrazole-3-carbonyl}piperazin-1-yl)methyl]-1-methyl-1H-indole

SMILES

Cn1c(cccc2)c2c(CN(CC2)CCN2C(c2n[nH]c-3c2COc2c3cccc2)=O)c1

InChI

InChI=1S/C25H25N5O2/c1-28-14-17(18-6-2-4-8-21(18)28)15-29-10-12-30(13-11-29)25(31)24-20-16-32-22-9-5-3-7-19(22)23(20)26-27-24/h2-9,14H,10-13,15-16H2,1H3,(H,26,27)

InChI Key

AVENTQQVASVEJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27128974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.855

Distribution Coefficient, logD

1.849

Water Solubility, LogSw

-3.31

Polar Surface Area

55.478

Acid Dissociation Constant (pKa)

6.53

Base Dissociation Constant (pKb)

8.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

F438-0393 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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 F438-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F438-0393?
Check Price and Availability of F438-0393, 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 F438-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F438-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F438-0393
  • 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 F438-0393 available by request