1187-1408 Screening compound: 4-{[(2E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-ylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

1187-1408 Screening compound: 4-{[(2E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-ylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
1187-1408 Screening compound: 4-{[(2E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-ylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-1408
4-{[(2E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-ylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-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

1187-1408

Molecular Formula

C25H24N4O3S (C25 H24 N4 O3 S)

Compound Name

4-{[(2E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-ylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

IUPAC name

4-{[(2E)-4-(23-dihydro-14-benzodioxin-6-yl)-3-(prop-2-en-1-yl)-23-dihydro-13-thiazol-2-ylidene]amino}-15-dimethyl-2-phenyl-23-dihydro-1H-pyrazol-3-one

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1/N=C1/SC=C(c(cc2)cc3c2OCCO3)N1CC=C

InChI

InChI=1S/C25H24N4O3S/c1-4-12-28-20(18-10-11-21-22(15-18)32-14-13-31-21)16-33-25(28)26-23-17(2)27(3)29(24(23)30)19-8-6-5-7-9-19/h4-11,15-16H,1,12-14H2,2-3H3

InChI Key

FXOFAXNRKRUPAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01112845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.090

Distribution Coefficient, logD

3.090

Water Solubility, LogSw

-3.32

Polar Surface Area

47.757

Acid Dissociation Constant (pKa)

29.44

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

1187-1408 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 1187-1408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-1408?
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What is the minimum amount of 1187-1408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-1408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-1408
  • 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 1187-1408 available by request