3403-4660 Screening compound: 4-bromo-N3,N5-bis(2-methoxyphenyl)-1-methyl-1H-pyrazole-3,5-dicarboxamide

3403-4660 Screening compound: 4-bromo-N3,N5-bis(2-methoxyphenyl)-1-methyl-1H-pyrazole-3,5-dicarboxamide
3403-4660 Screening compound: 4-bromo-N3,N5-bis(2-methoxyphenyl)-1-methyl-1H-pyrazole-3,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3403-4660
4-bromo-N3,N5-bis(2-methoxyphenyl)-1-methyl-1H-pyrazole-3,5-dicarboxamide

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

3403-4660

Molecular Formula

C20H19BrN4O4 (C20 H19 BrN4 O4)

Compound Name

4-bromo-N3,N5-bis(2-methoxyphenyl)-1-methyl-1H-pyrazole-3,5-dicarboxamide

IUPAC name

4-bromo-N3N5-bis(2-methoxyphenyl)-1-methyl-1H-pyrazole-35-dicarboxamide

SMILES

Cn1nc(C(Nc(cccc2)c2OC)=O)c(Br)c1C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C20H19BrN4O4/c1-25-18(20(27)23-13-9-5-7-11-15(13)29-3)16(21)17(24-25)19(26)22-12-8-4-6-10-14(12)28-2/h4-11H,1-3H3,(H,22,26)(H,23,27)

InChI Key

CLMQJYNCAFENRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01892233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.366

Distribution Coefficient, logD

3.190

Water Solubility, LogSw

-3.74

Polar Surface Area

74.348

Acid Dissociation Constant (pKa)

7.70

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3403-4660 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3403-4660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3403-4660?
Check Price and Availability of 3403-4660, 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 3403-4660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3403-4660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3403-4660
  • 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 3403-4660 available by request