Y600-5318 Screening compound: 4-{4-[bis(4-fluorophenyl)methyl]piperazino}-6-chloro-2-pyrimidinamine

Y600-5318 Screening compound: 4-{4-[bis(4-fluorophenyl)methyl]piperazino}-6-chloro-2-pyrimidinamine
Y600-5318 Screening compound: 4-{4-[bis(4-fluorophenyl)methyl]piperazino}-6-chloro-2-pyrimidinamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-5318
4-{4-[bis(4-fluorophenyl)methyl]piperazino}-6-chloro-2-pyrimidinamine

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

Y600-5318

Molecular Formula

C21H20ClF2N5 (C21 H20 ClF2 N5)

Compound Name

4-{4-[bis(4-fluorophenyl)methyl]piperazino}-6-chloro-2-pyrimidinamine

IUPAC name

4-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-6-chloropyrimidin-2-amine

SMILES

Nc1nc(N(CC2)CCN2C(c(cc2)ccc2F)c(cc2)ccc2F)cc(Cl)n1

InChI

InChI=1S/C21H20ClF2N5/c22-18-13-19(27-21(25)26-18)28-9-11-29(12-10-28)20(14-1-5-16(23)6-2-14)15-3-7-17(24)8-4-15/h1-8,13,20H,9-12H2,(H2,25,26,27)

InChI Key

QTJFNRWACKYSAP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.87

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.811

Distribution Coefficient, logD

4.809

Water Solubility, LogSw

-5.19

Polar Surface Area

44.620

Acid Dissociation Constant (pKa)

17.09

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

Y600-5318 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y600-5318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-5318?
Check Price and Availability of Y600-5318, 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 Y600-5318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-5318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-5318
  • 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 Y600-5318 available by request