1951-2525 Screening compound: (4E)-4-{2-[2-chloro-5-(trifluoromethyl)phenyl]hydrazin-1-ylidene}-3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4,5-dihydro-1H-pyrazol-5-one

1951-2525 Screening compound: (4E)-4-{2-[2-chloro-5-(trifluoromethyl)phenyl]hydrazin-1-ylidene}-3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4,5-dihydro-1H-pyrazol-5-one
1951-2525 Screening compound: (4E)-4-{2-[2-chloro-5-(trifluoromethyl)phenyl]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 1951-2525
(4E)-4-{2-[2-chloro-5-(trifluoromethyl)phenyl]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

1951-2525

Molecular Formula

C20H12ClF3N6O3S (C20 H12 ClF3 N6 O3 S)

Compound Name

(4E)-4-{2-[2-chloro-5-(trifluoromethyl)phenyl]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-[2-chloro-5-(trifluoromethyl)phenyl]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\Nc(cc(C(F)(F)F)cc2)c2Cl)=NN1c1nc(-c2cc([N+]([O-])=O)ccc2)cs1

InChI

InChI=1S/C20H12ClF3N6O3S/c1-10-17(27-26-15-8-12(20(22,23)24)5-6-14(15)21)18(31)29(28-10)19-25-16(9-34-19)11-3-2-4-13(7-11)30(32)33/h2-9,26H,1H3

InChI Key

NRKSYVFQMIOKBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01081007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.706

Distribution Coefficient, logD

6.682

Water Solubility, LogSw

-6.57

Polar Surface Area

87.794

Acid Dissociation Constant (pKa)

8.65

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

1951-2525 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 1951-2525 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1951-2525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1951-2525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1951-2525
  • 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 1951-2525 available by request