7954-2457 Screening compound: methyl 2-[6-amino-5-cyano-4-(2,4-difluorophenyl)-2H,4H-pyrano[2,3-c]pyrazol-3-yl]acetate

7954-2457 Screening compound: methyl 2-[6-amino-5-cyano-4-(2,4-difluorophenyl)-2H,4H-pyrano[2,3-c]pyrazol-3-yl]acetate
7954-2457 Screening compound: methyl 2-[6-amino-5-cyano-4-(2,4-difluorophenyl)-2H,4H-pyrano[2,3-c]pyrazol-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7954-2457
methyl 2-[6-amino-5-cyano-4-(2,4-difluorophenyl)-2H,4H-pyrano[2,3-c]pyrazol-3-yl]acetate

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

7954-2457

Molecular Formula

C16H12F2N4O3 (C16 H12 F2 N4 O3)

Compound Name

methyl 2-[6-amino-5-cyano-4-(2,4-difluorophenyl)-2H,4H-pyrano[2,3-c]pyrazol-3-yl]acetate

IUPAC name

methyl 2-[6-amino-5-cyano-4-(24-difluorophenyl)-2H4H-pyrano[23-c]pyrazol-3-yl]acetate

SMILES

COC(Cc1c(C(c(ccc(F)c2)c2F)C(C#N)=C(N)O2)c2n[nH]1)=O

InChI

InChI=1S/C16H12F2N4O3/c1-24-12(23)5-11-14-13(8-3-2-7(17)4-10(8)18)9(6-19)15(20)25-16(14)22-21-11/h2-4,13H,5,20H2,1H3,(H,21,22)/t13-/m0/s1

InChI Key

IVVQNXRLRGHNSW-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD02950588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.630

Distribution Coefficient, logD

1.630

Water Solubility, LogSw

-2.20

Polar Surface Area

91.819

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

7954-2457 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 7954-2457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7954-2457?
Check Price and Availability of 7954-2457, 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 7954-2457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7954-2457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7954-2457
  • 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 7954-2457 available by request