4426-0983 Screening compound: 2-methylpropyl 4-[(5-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}-2-methoxyphenoxy)methyl]benzoate

4426-0983 Screening compound: 2-methylpropyl 4-[(5-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}-2-methoxyphenoxy)methyl]benzoate
4426-0983 Screening compound: 2-methylpropyl 4-[(5-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}-2-methoxyphenoxy)methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4426-0983
2-methylpropyl 4-[(5-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}-2-methoxyphenoxy)methyl]benzoate

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

4426-0983

Molecular Formula

C27H28N4O5 (C27 H28 N4 O5)

Compound Name

2-methylpropyl 4-[(5-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}-2-methoxyphenoxy)methyl]benzoate

IUPAC name

2-methylpropyl 4-[(5-{6-amino-5-cyano-3-methyl-1H4H-pyrano[23-c]pyrazol-4-yl}-2-methoxyphenoxy)methyl]benzoate

SMILES

CC(C)COC(c1ccc(COc(cc(C2C(C#N)=C(N)Oc3c2c(C)n[nH]3)cc2)c2OC)cc1)=O

InChI

InChI=1S/C27H28N4O5/c1-15(2)13-35-27(32)18-7-5-17(6-8-18)14-34-22-11-19(9-10-21(22)33-4)24-20(12-28)25(29)36-26-23(24)16(3)30-31-26/h5-11,15,24H,13-14,29H2,1-4H3,(H,30,31)/t24-/m0/s1

InChI Key

SBLXWNRFYGQEMT-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02631364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.812

Distribution Coefficient, logD

3.812

Water Solubility, LogSw

-4.35

Polar Surface Area

106.625

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with 4426-0983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4426-0983?
Check Price and Availability of 4426-0983, 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 4426-0983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4426-0983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4426-0983
  • 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 4426-0983 available by request