4514-1637 Screening compound: N-(4-fluorophenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide

4514-1637 Screening compound: N-(4-fluorophenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide
4514-1637 Screening compound: N-(4-fluorophenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-1637
N-(4-fluorophenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide

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

4514-1637

Molecular Formula

C15H16FN5S (C15 H16 FN5 S)

Compound Name

N-(4-fluorophenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide

IUPAC name

N-(4-fluorophenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide

SMILES

Fc(cc1)ccc1NC(N(CC1)CCN1c1ncccn1)=S

InChI

InChI=1S/C15H16FN5S/c16-12-2-4-13(5-3-12)19-15(22)21-10-8-20(9-11-21)14-17-6-1-7-18-14/h1-7H,8-11H2,(H,19,22)

InChI Key

ZTLDTGDWZUVXMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.055

Distribution Coefficient, logD

3.055

Water Solubility, LogSw

-3.20

Polar Surface Area

32.759

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

4514-1637 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4514-1637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-1637?
Check Price and Availability of 4514-1637, 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 4514-1637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-1637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-1637
  • 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 4514-1637 available by request