Y600-3975 Screening compound: 4-[2-({{[(3-chloro-4-fluoroanilino)carbothioyl]imino}[(4,6-dimethyl-2-pyrimidinyl)amino]methyl}amino)ethyl]-1-benzenesulfonamide

Y600-3975 Screening compound: 4-[2-({{[(3-chloro-4-fluoroanilino)carbothioyl]imino}[(4,6-dimethyl-2-pyrimidinyl)amino]methyl}amino)ethyl]-1-benzenesulfonamide
Y600-3975 Screening compound: 4-[2-({{[(3-chloro-4-fluoroanilino)carbothioyl]imino}[(4,6-dimethyl-2-pyrimidinyl)amino]methyl}amino)ethyl]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-3975
4-[2-({{[(3-chloro-4-fluoroanilino)carbothioyl]imino}[(4,6-dimethyl-2-pyrimidinyl)amino]methyl}amino)ethyl]-1-benzenesulfonamide

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

Y600-3975

Molecular Formula

C22H23ClFN7O2S2 (C22 H23 ClFN7 O2 S2)

Compound Name

4-[2-({{[(3-chloro-4-fluoroanilino)carbothioyl]imino}[(4,6-dimethyl-2-pyrimidinyl)amino]methyl}amino)ethyl]-1-benzenesulfonamide

IUPAC name

1-(3-chloro-4-fluorophenyl)-3-[(Z)-[(46-dimethylpyrimidin-2-yl)amino]({[2-(4-sulfamoylphenyl)ethyl]amino})methylidene]thiourea

SMILES

Cc1nc(N/C(/NCCc(cc2)ccc2S(N)(=O)=O)=N\C(Nc(cc2)cc(Cl)c2F)=S)nc(C)c1

InChI

InChI=1S/C22H23ClFN7O2S2/c1-13-11-14(2)28-21(27-13)30-20(31-22(34)29-16-5-8-19(24)18(23)12-16)26-10-9-15-3-6-17(7-4-15)35(25,32)33/h3-8,11-12H,9-10H2,1-2H3,(H2,25,32,33)(H3,26,27,28,29,30,31,34)

InChI Key

PTJRVCFHZQHYQL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.05

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.082

Distribution Coefficient, logD

-3.812

Water Solubility, LogSw

-3.56

Polar Surface Area

107.346

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

8.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

Y600-3975 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y600-3975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-3975?
Check Price and Availability of Y600-3975, 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 Y600-3975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-3975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-3975
  • 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 Y600-3975 available by request