2545-0141 Screening compound: 6-amino-1-(3-chlorophenyl)-4-(2-fluorophenyl)-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

2545-0141 Screening compound: 6-amino-1-(3-chlorophenyl)-4-(2-fluorophenyl)-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
2545-0141 Screening compound: 6-amino-1-(3-chlorophenyl)-4-(2-fluorophenyl)-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2545-0141
6-amino-1-(3-chlorophenyl)-4-(2-fluorophenyl)-3-methyl-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

2545-0141

Molecular Formula

C20H14ClFN4O (C20 H14 ClFN4 O)

Compound Name

6-amino-1-(3-chlorophenyl)-4-(2-fluorophenyl)-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

IUPAC name

6-amino-1-(3-chlorophenyl)-4-(2-fluorophenyl)-3-methyl-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

Cc(c(C1c(cccc2)c2F)c2OC(N)=C1C#N)nn2-c1cccc(Cl)c1

InChI

InChI=1S/C20H14ClFN4O/c1-11-17-18(14-7-2-3-8-16(14)22)15(10-23)19(24)27-20(17)26(25-11)13-6-4-5-12(21)9-13/h2-9,18H,24H2,1H3

InChI Key

KQBCKIMRFIEKHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.81

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.987

Distribution Coefficient, logD

3.987

Water Solubility, LogSw

-4.48

Polar Surface Area

59.317

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

2545-0141 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2545-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2545-0141?
Check Price and Availability of 2545-0141, 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 2545-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2545-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2545-0141
  • 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 2545-0141 available by request