Y600-1943 Screening compound: 2-(1,3-benzothiazol-2-yl)-4-[(E)-1-(heptylamino)methylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

Y600-1943 Screening compound: 2-(1,3-benzothiazol-2-yl)-4-[(E)-1-(heptylamino)methylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Y600-1943 Screening compound: 2-(1,3-benzothiazol-2-yl)-4-[(E)-1-(heptylamino)methylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-1943
2-(1,3-benzothiazol-2-yl)-4-[(E)-1-(heptylamino)methylidene]-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

Y600-1943

Molecular Formula

C19H21F3N4OS (C19 H21 F3 N4 OS)

Compound Name

2-(1,3-benzothiazol-2-yl)-4-[(E)-1-(heptylamino)methylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

IUPAC name

(4E)-1-(13-benzothiazol-2-yl)-4-[(heptylamino)methylidene]-3-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-one

SMILES

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

InChI

InChI=1S/C19H21F3N4OS/c1-2-3-4-5-8-11-23-12-13-16(19(20,21)22)25-26(17(13)27)18-24-14-9-6-7-10-15(14)28-18/h6-7,9-10,12,23H,2-5,8,11H2,1H3

InChI Key

ULTFWGZIWDQDSW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.177

Distribution Coefficient, logD

5.176

Water Solubility, LogSw

-4.82

Polar Surface Area

49.194

Acid Dissociation Constant (pKa)

11.66

Base Dissociation Constant (pKb)

6.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with Y600-1943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-1943?
Check Price and Availability of Y600-1943, 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 Y600-1943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-1943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-1943
  • 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 Y600-1943 available by request