1697-1518 Screening compound: (4E)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(2-methoxyphenyl)hydrazin-1-ylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one

1697-1518 Screening compound: (4E)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(2-methoxyphenyl)hydrazin-1-ylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one
1697-1518 Screening compound: (4E)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(2-methoxyphenyl)hydrazin-1-ylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1697-1518
(4E)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(2-methoxyphenyl)hydrazin-1-ylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-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

1697-1518

Molecular Formula

C21H19N5O3S (C21 H19 N5 O3 S)

Compound Name

(4E)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(2-methoxyphenyl)hydrazin-1-ylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4E)-1-[4-(4-methoxyphenyl)-13-thiazol-2-yl]-4-[2-(2-methoxyphenyl)hydrazin-1-ylidene]-3-methyl-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=N\Nc(cccc2)c2OC)=NN1c1nc(-c(cc2)ccc2OC)cs1

InChI

InChI=1S/C21H19N5O3S/c1-13-19(24-23-16-6-4-5-7-18(16)29-3)20(27)26(25-13)21-22-17(12-30-21)14-8-10-15(28-2)11-9-14/h4-12,23H,1-3H3

InChI Key

CABYKCDZLOYSLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.269

Distribution Coefficient, logD

5.268

Water Solubility, LogSw

-5.29

Polar Surface Area

69.587

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

1697-1518 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1697-1518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1697-1518?
Check Price and Availability of 1697-1518, 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 1697-1518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1697-1518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1697-1518
  • 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 1697-1518 available by request