1348-1805 Screening compound: 4-[(5-bromo-3-ethoxy-2-hydroxyphenyl)(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

1348-1805 Screening compound: 4-[(5-bromo-3-ethoxy-2-hydroxyphenyl)(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
1348-1805 Screening compound: 4-[(5-bromo-3-ethoxy-2-hydroxyphenyl)(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1348-1805
4-[(5-bromo-3-ethoxy-2-hydroxyphenyl)(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-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

1348-1805

Molecular Formula

C31H31BrN4O4 (C31 H31 BrN4 O4)

Compound Name

4-[(5-bromo-3-ethoxy-2-hydroxyphenyl)(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

IUPAC name

4-[(5-bromo-3-ethoxy-2-hydroxyphenyl)(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)methyl]-15-dimethyl-2-phenyl-23-dihydro-1H-pyrazol-3-one

SMILES

CCOc(cc(cc1C(C(C2=O)=C(C)N(C)N2c2ccccc2)C(C2=O)=C(C)N(C)N2c2ccccc2)Br)c1O

InChI

InChI=1S/C31H31BrN4O4/c1-6-40-25-18-21(32)17-24(29(25)37)28(26-19(2)33(4)35(30(26)38)22-13-9-7-10-14-22)27-20(3)34(5)36(31(27)39)23-15-11-8-12-16-23/h7-18,28,37H,6H2,1-5H3

InChI Key

PEOMLICSCKXIDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00639960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

603.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.364

Distribution Coefficient, logD

4.363

Water Solubility, LogSw

-4.17

Polar Surface Area

62.749

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.60

1348-1805 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 1348-1805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1348-1805?
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What is the minimum amount of 1348-1805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1348-1805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1348-1805
  • 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 1348-1805 available by request