C545-0410 Screening compound: 3-[(1,2-dimethyl-1H-indol-5-yl)methyl]-1-(4-fluorophenyl)thiourea

C545-0410 Screening compound: 3-[(1,2-dimethyl-1H-indol-5-yl)methyl]-1-(4-fluorophenyl)thiourea
C545-0410 Screening compound: 3-[(1,2-dimethyl-1H-indol-5-yl)methyl]-1-(4-fluorophenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C545-0410
3-[(1,2-dimethyl-1H-indol-5-yl)methyl]-1-(4-fluorophenyl)thiourea

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

C545-0410

Molecular Formula

C18H18FN3S (C18 H18 FN3 S)

Compound Name

3-[(1,2-dimethyl-1H-indol-5-yl)methyl]-1-(4-fluorophenyl)thiourea

IUPAC name

3-[(12-dimethyl-1H-indol-5-yl)methyl]-1-(4-fluorophenyl)thiourea

SMILES

Cc1cc(cc(CNC(Nc(cc2)ccc2F)=S)cc2)c2n1C

InChI

InChI=1S/C18H18FN3S/c1-12-9-14-10-13(3-8-17(14)22(12)2)11-20-18(23)21-16-6-4-15(19)5-7-16/h3-10H,11H2,1-2H3,(H2,20,21,23)

InChI Key

FUTBYEOTLSWLTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04469533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.43

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.768

Distribution Coefficient, logD

3.768

Water Solubility, LogSw

-3.93

Polar Surface Area

22.889

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with C545-0410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C545-0410?
Check Price and Availability of C545-0410, 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 C545-0410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C545-0410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C545-0410
  • 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 C545-0410 available by request