1951-2577 Screening compound: 2-{2-[(4E)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}benzoic acid

1951-2577 Screening compound: 2-{2-[(4E)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}benzoic acid
1951-2577 Screening compound: 2-{2-[(4E)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1951-2577
2-{2-[(4E)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}benzoic acid

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

1951-2577

Molecular Formula

C20H14ClN5O3S (C20 H14 ClN5 O3 S)

Compound Name

2-{2-[(4E)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}benzoic acid

IUPAC name

2-{2-[(4E)-1-[4-(4-chlorophenyl)-13-thiazol-2-yl]-3-methyl-5-oxo-45-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}benzoic acid

SMILES

CC(/C(/C1=O)=N\Nc(cccc2)c2C(O)=O)=NN1c1nc(-c(cc2)ccc2Cl)cs1

InChI

InChI=1S/C20H14ClN5O3S/c1-11-17(24-23-15-5-3-2-4-14(15)19(28)29)18(27)26(25-11)20-22-16(10-30-20)12-6-8-13(21)9-7-12/h2-10,23H,1H3,(H,28,29)

InChI Key

USYSKAGSYWEZQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01027778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.199

Distribution Coefficient, logD

2.656

Water Solubility, LogSw

-5.88

Polar Surface Area

82.821

Acid Dissociation Constant (pKa)

3.86

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with 1951-2577 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1951-2577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1951-2577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1951-2577
  • 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 1951-2577 available by request