1000-0979 Screening compound: 3-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole

1000-0979 Screening compound: 3-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
1000-0979 Screening compound: 3-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1000-0979
3-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole

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

1000-0979

Molecular Formula

C23H21BrN2O2 (C23 H21 BrN2 O2)

Compound Name

3-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole

IUPAC name

3-(4-bromophenyl)-5-(34-dimethoxyphenyl)-1-phenyl-45-dihydro-1H-pyrazole

SMILES

COc(ccc(C(C1)N(c2ccccc2)N=C1c(cc1)ccc1Br)c1)c1OC

InChI

InChI=1S/C23H21BrN2O2/c1-27-22-13-10-17(14-23(22)28-2)21-15-20(16-8-11-18(24)12-9-16)25-26(21)19-6-4-3-5-7-19/h3-14,21H,15H2,1-2H3/t21-/m1/s1

InChI Key

IAQACKJFOKOWNI-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD00356876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.061

Distribution Coefficient, logD

6.060

Water Solubility, LogSw

-5.77

Polar Surface Area

29.180

Acid Dissociation Constant (pKa)

17.56

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

1000-0979 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Frequent Hitters Library (7624 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
Structure:
  • Pool
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 1000-0979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1000-0979?
Check Price and Availability of 1000-0979, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1000-0979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1000-0979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1000-0979
  • 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 1000-0979 available by request