F036-0445 Screening compound: N''-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-N'-(2-thienylcarbonyl)guanidine

F036-0445 Screening compound: N''-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-N'-(2-thienylcarbonyl)guanidine
F036-0445 Screening compound: N''-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-N'-(2-thienylcarbonyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound F036-0445
N''-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-N'-(2-thienylcarbonyl)guanidine

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

F036-0445

Molecular Formula

C22H19FN4OS (C22 H19 FN4 OS)

Compound Name

N''-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-N'-(2-thienylcarbonyl)guanidine

IUPAC name

n/a

SMILES

O=C(c1cccs1)N/C(/NCCc1c[nH]c2c1cccc2)=N/c(cc1)ccc1F

InChI

InChI=1S/C22H19FN4OS/c23-16-7-9-17(10-8-16)26-22(27-21(28)20-6-3-13-29-20)24-12-11-15-14-25-19-5-2-1-4-18(15)19/h1-10,13-14,25H,11-12H2,(H2,24,26,27,28)

InChI Key

BNSDXQIENDRYCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14937533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.370

Distribution Coefficient, logD

4.190

Water Solubility, LogSw

-4.37

Polar Surface Area

52.582

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with F036-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F036-0445?
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What is the minimum amount of F036-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F036-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F036-0445
  • 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 F036-0445 available by request