5750-2704 Screening compound: {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate

5750-2704 Screening compound: {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate
5750-2704 Screening compound: {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5750-2704
{4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate

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

5750-2704

Molecular Formula

C16H20FN7S2 (C16 H20 FN7 S2)

Compound Name

{4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate

IUPAC name

{4-amino-6-[(4-fluorophenyl)amino]-135-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate

SMILES

CN(CC1)CCN1C(SCc1nc(Nc(cc2)ccc2F)nc(N)n1)=S

InChI

InChI=1S/C16H20FN7S2/c1-23-6-8-24(9-7-23)16(25)26-10-13-20-14(18)22-15(21-13)19-12-4-2-11(17)3-5-12/h2-5H,6-10H2,1H3,(H3,18,19,20,21,22)

InChI Key

YBPFGQOUIFXUKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03296122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.775

Distribution Coefficient, logD

1.970

Water Solubility, LogSw

-3.14

Polar Surface Area

67.905

Acid Dissociation Constant (pKa)

15.85

Base Dissociation Constant (pKb)

8.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

5750-2704 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5750-2704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-2704?
Check Price and Availability of 5750-2704, 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 5750-2704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-2704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-2704
  • 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 5750-2704 available by request