1479-1402 Screening compound: 4-[(E)-[(3-bromo-4-hydroxyphenyl)methylidene]amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

1479-1402 Screening compound: 4-[(E)-[(3-bromo-4-hydroxyphenyl)methylidene]amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
1479-1402 Screening compound: 4-[(E)-[(3-bromo-4-hydroxyphenyl)methylidene]amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1479-1402
4-[(E)-[(3-bromo-4-hydroxyphenyl)methylidene]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

1479-1402

Molecular Formula

C18H16BrN3O2 (C18 H16 BrN3 O2)

Compound Name

4-[(E)-[(3-bromo-4-hydroxyphenyl)methylidene]amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

IUPAC name

4-[(E)-[(3-bromo-4-hydroxyphenyl)methylidene]amino]-15-dimethyl-2-phenyl-23-dihydro-1H-pyrazol-3-one

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1/N=C/c(cc1)cc(Br)c1O

InChI

InChI=1S/C18H16BrN3O2/c1-12-17(20-11-13-8-9-16(23)15(19)10-13)18(24)22(21(12)2)14-6-4-3-5-7-14/h3-11,23H,1-2H3

InChI Key

JURGFORCFZTGLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01204849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.553

Distribution Coefficient, logD

2.529

Water Solubility, LogSw

-2.60

Polar Surface Area

45.295

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

1479-1402 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1479-1402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1479-1402?
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What is the minimum amount of 1479-1402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1479-1402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1479-1402
  • 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 1479-1402 available by request