Y600-3802 Screening compound: methyl 2-(1-(4-fluorophenyl)-5-oxo-4-{(Z)-1-[(2-thienylmethyl)amino]ethylidene}-1,5-dihydro-4H-pyrazol-3-yl)acetate

Y600-3802 Screening compound: methyl 2-(1-(4-fluorophenyl)-5-oxo-4-{(Z)-1-[(2-thienylmethyl)amino]ethylidene}-1,5-dihydro-4H-pyrazol-3-yl)acetate
Y600-3802 Screening compound: methyl 2-(1-(4-fluorophenyl)-5-oxo-4-{(Z)-1-[(2-thienylmethyl)amino]ethylidene}-1,5-dihydro-4H-pyrazol-3-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-3802
methyl 2-(1-(4-fluorophenyl)-5-oxo-4-{(Z)-1-[(2-thienylmethyl)amino]ethylidene}-1,5-dihydro-4H-pyrazol-3-yl)acetate

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

Y600-3802

Molecular Formula

C19H18FN3O3S (C19 H18 FN3 O3 S)

Compound Name

methyl 2-(1-(4-fluorophenyl)-5-oxo-4-{(Z)-1-[(2-thienylmethyl)amino]ethylidene}-1,5-dihydro-4H-pyrazol-3-yl)acetate

IUPAC name

methyl 2-[(4Z)-1-(4-fluorophenyl)-5-oxo-4-(1-{[(thiophen-2-yl)methyl]amino}ethylidene)-45-dihydro-1H-pyrazol-3-yl]acetate

SMILES

C/C(/NCc1cccs1)=C(\C(CC(OC)=O)=NN1c(cc2)ccc2F)/C1=O

InChI

InChI=1S/C19H18FN3O3S/c1-12(21-11-15-4-3-9-27-15)18-16(10-17(24)26-2)22-23(19(18)25)14-7-5-13(20)6-8-14/h3-9,21H,10-11H2,1-2H3

InChI Key

PLDMBTBMLUHOOA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.562

Distribution Coefficient, logD

2.561

Water Solubility, LogSw

-2.85

Polar Surface Area

59.458

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

References: we are preparing a list of scientific research reports with Y600-3802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-3802?
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What is the minimum amount of Y600-3802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-3802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-3802
  • 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 Y600-3802 available by request