3448-6976 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-(3-methylpyridin-2-yl)thiourea

3448-6976 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-(3-methylpyridin-2-yl)thiourea
3448-6976 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-(3-methylpyridin-2-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-6976
1-(3-chloro-4-fluorophenyl)-3-(3-methylpyridin-2-yl)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

3448-6976

Molecular Formula

C13H11ClFN3S (C13 H11 ClFN3 S)

Compound Name

1-(3-chloro-4-fluorophenyl)-3-(3-methylpyridin-2-yl)thiourea

IUPAC name

1-(3-chloro-4-fluorophenyl)-3-(3-methylpyridin-2-yl)thiourea

SMILES

Cc1cccnc1NC(Nc(cc1)cc(Cl)c1F)=S

InChI

InChI=1S/C13H11ClFN3S/c1-8-3-2-6-16-12(8)18-13(19)17-9-4-5-11(15)10(14)7-9/h2-7H,1H3,(H2,16,17,18,19)

InChI Key

JVYUNNPBWUKJBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.77

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.238

Distribution Coefficient, logD

4.028

Water Solubility, LogSw

-4.51

Polar Surface Area

28.749

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with 3448-6976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-6976?
Check Price and Availability of 3448-6976, 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 3448-6976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-6976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-6976
  • 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 3448-6976 available by request