4478-4671 Screening compound: 6-amino-4-(4-bromophenyl)-1,3-diphenyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

4478-4671 Screening compound: 6-amino-4-(4-bromophenyl)-1,3-diphenyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
4478-4671 Screening compound: 6-amino-4-(4-bromophenyl)-1,3-diphenyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-4671
6-amino-4-(4-bromophenyl)-1,3-diphenyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

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

4478-4671

Molecular Formula

C25H17BrN4O (C25 H17 BrN4 O)

Compound Name

6-amino-4-(4-bromophenyl)-1,3-diphenyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

IUPAC name

6-amino-4-(4-bromophenyl)-13-diphenyl-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

NC(Oc1c(C2c(cc3)ccc3Br)c(-c3ccccc3)nn1-c1ccccc1)=C2C#N

InChI

InChI=1S/C25H17BrN4O/c26-18-13-11-16(12-14-18)21-20(15-27)24(28)31-25-22(21)23(17-7-3-1-4-8-17)29-30(25)19-9-5-2-6-10-19/h1-14,21H,28H2/t21-/m0/s1

InChI Key

BFBRLSDBEUYOMT-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01173642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.304

Distribution Coefficient, logD

5.304

Water Solubility, LogSw

-5.86

Polar Surface Area

59.239

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.00

4478-4671 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4478-4671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-4671?
Check Price and Availability of 4478-4671, 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 4478-4671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-4671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-4671
  • 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 4478-4671 available by request