F341-0042 Screening compound: 4-tert-butyl-N-[(Z)-N'-(4-ethoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl]benzamide

F341-0042 Screening compound: 4-tert-butyl-N-[(Z)-N'-(4-ethoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl]benzamide
F341-0042 Screening compound: 4-tert-butyl-N-[(Z)-N'-(4-ethoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F341-0042
4-tert-butyl-N-[(Z)-N'-(4-ethoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl]benzamide

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

F341-0042

Molecular Formula

C29H39N5O2 (C29 H39 N5 O2)

Compound Name

4-tert-butyl-N-[(Z)-N'-(4-ethoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl]benzamide

IUPAC name

4-tert-butyl-N-[(Z)-N'-(4-ethoxyphenyl)-N-[2-(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl]benzamide

SMILES

CCn1nc(C)c(CCN/C(/NC(c2ccc(C(C)(C)C)cc2)=O)=N/c(cc2)ccc2OCC)c1C

InChI

InChI=1S/C29H39N5O2/c1-8-34-21(4)26(20(3)33-34)18-19-30-28(31-24-14-16-25(17-15-24)36-9-2)32-27(35)22-10-12-23(13-11-22)29(5,6)7/h10-17H,8-9,18-19H2,1-7H3,(H2,30,31,32,35)

InChI Key

TWMAEPWJICFMMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14950122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.412

Distribution Coefficient, logD

4.935

Water Solubility, LogSw

-5.34

Polar Surface Area

63.095

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

F341-0042 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F341-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F341-0042?
Check Price and Availability of F341-0042, 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 F341-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F341-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F341-0042
  • 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 F341-0042 available by request