S553-0319 Screening compound: 1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-amine

S553-0319 Screening compound: 1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-amine
S553-0319 Screening compound: 1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S553-0319
1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-amine

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

S553-0319

Molecular Formula

C10H13F3N4 (C10 H13 F3 N4)

Compound Name

1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-amine

IUPAC name

1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-amine

SMILES

NC(CC1)CCN1c1cc(C(F)(F)F)ncn1

InChI

InChI=1S/C10H13F3N4/c11-10(12,13)8-5-9(16-6-15-8)17-3-1-7(14)2-4-17/h5-7H,1-4,14H2

InChI Key

ITOLHNGQPYSZJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26382571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.517

Distribution Coefficient, logD

-1.358

Water Solubility, LogSw

-1.66

Polar Surface Area

42.739

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

10.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

S553-0319 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with S553-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S553-0319?
Check Price and Availability of S553-0319, 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 S553-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S553-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S553-0319
  • 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 S553-0319 available by request