D335-0185 Screening compound: 5-fluoro-3-methyl-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}-1-benzofuran-2-carboxamide

D335-0185 Screening compound: 5-fluoro-3-methyl-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}-1-benzofuran-2-carboxamide
D335-0185 Screening compound: 5-fluoro-3-methyl-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D335-0185
5-fluoro-3-methyl-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}-1-benzofuran-2-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

D335-0185

Molecular Formula

C22H30FN3O2 (C22 H30 FN3 O2)

Compound Name

5-fluoro-3-methyl-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}-1-benzofuran-2-carboxamide

IUPAC name

5-fluoro-3-methyl-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(NCC2(CCCCC2)N2CCN(C)CC2)=O)oc(cc2)c1cc2F

InChI

InChI=1S/C22H30FN3O2/c1-16-18-14-17(23)6-7-19(18)28-20(16)21(27)24-15-22(8-4-3-5-9-22)26-12-10-25(2)11-13-26/h6-7,14H,3-5,8-13,15H2,1-2H3,(H,24,27)

InChI Key

JDCXAVAQABWEAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12915194

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

387.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.963

Distribution Coefficient, logD

3.771

Water Solubility, LogSw

-3.96

Polar Surface Area

39.887

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

D335-0185 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D335-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D335-0185?
Check Price and Availability of D335-0185, 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 D335-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D335-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D335-0185
  • 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 D335-0185 available by request