1697-1435 Screening compound: (4E)-4-[2-(3-chloro-2-methylphenyl)hydrazin-1-ylidene]-3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4,5-dihydro-1H-pyrazol-5-one

1697-1435 Screening compound: (4E)-4-[2-(3-chloro-2-methylphenyl)hydrazin-1-ylidene]-3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4,5-dihydro-1H-pyrazol-5-one
1697-1435 Screening compound: (4E)-4-[2-(3-chloro-2-methylphenyl)hydrazin-1-ylidene]-3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1697-1435
(4E)-4-[2-(3-chloro-2-methylphenyl)hydrazin-1-ylidene]-3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-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

1697-1435

Molecular Formula

C20H15ClN6O3S (C20 H15 ClN6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(/C(/C1=O)=N\Nc2cccc(Cl)c2C)=NN1c1nc(-c2cc([N+]([O-])=O)ccc2)cs1

InChI

InChI=1S/C20H15ClN6O3S/c1-11-15(21)7-4-8-16(11)23-24-18-12(2)25-26(19(18)28)20-22-17(10-31-20)13-5-3-6-14(9-13)27(29)30/h3-10,23H,1-2H3

InChI Key

VSOWCAQMJXUHHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.293

Distribution Coefficient, logD

6.293

Water Solubility, LogSw

-6.29

Polar Surface Area

87.794

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

1697-1435 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 1697-1435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1697-1435?
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What is the minimum amount of 1697-1435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1697-1435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1697-1435
  • 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 1697-1435 available by request