Y600-2286 Screening compound: 2-(1,3-benzothiazol-2-yl)-4-{(E)-1-[(2-piperazinoethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

Y600-2286 Screening compound: 2-(1,3-benzothiazol-2-yl)-4-{(E)-1-[(2-piperazinoethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Y600-2286 Screening compound: 2-(1,3-benzothiazol-2-yl)-4-{(E)-1-[(2-piperazinoethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-2286
2-(1,3-benzothiazol-2-yl)-4-{(E)-1-[(2-piperazinoethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

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

Y600-2286

Molecular Formula

C20H23F3N6OS (C20 H23 F3 N6 OS)

Compound Name

2-(1,3-benzothiazol-2-yl)-4-{(E)-1-[(2-piperazinoethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

IUPAC name

(4E)-1-(13-benzothiazol-2-yl)-4-(1-{[2-(piperazin-1-yl)ethyl]amino}propylidene)-3-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-one

SMILES

CC/C(/NCCN1CCNCC1)=C(/C(C(F)(F)F)=NN1c2nc(cccc3)c3s2)\C1=O

InChI

InChI=1S/C20H23F3N6OS/c1-2-13(25-9-12-28-10-7-24-8-11-28)16-17(20(21,22)23)27-29(18(16)30)19-26-14-5-3-4-6-15(14)31-19/h3-6,24-25H,2,7-12H2,1H3

InChI Key

DYBIJWBACFCUJX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.056

Distribution Coefficient, logD

1.604

Water Solubility, LogSw

-3.17

Polar Surface Area

63.744

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

8.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with Y600-2286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-2286?
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What is the minimum amount of Y600-2286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-2286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-2286
  • 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 Y600-2286 available by request