8001-1445 Screening compound: 4-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}phenyl acetate

8001-1445 Screening compound: 4-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}phenyl acetate
8001-1445 Screening compound: 4-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-1445
4-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}phenyl 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

8001-1445

Molecular Formula

C16H14N4O3 (C16 H14 N4 O3)

Compound Name

4-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}phenyl acetate

IUPAC name

4-{6-amino-5-cyano-3-methyl-1H4H-pyrano[23-c]pyrazol-4-yl}phenyl acetate

SMILES

CC(Oc1ccc(C2C(C#N)=C(N)Oc3c2c(C)n[nH]3)cc1)=O

InChI

InChI=1S/C16H14N4O3/c1-8-13-14(10-3-5-11(6-4-10)22-9(2)21)12(7-17)15(18)23-16(13)20-19-8/h3-6,14H,18H2,1-2H3,(H,19,20)/t14-/m0/s1

InChI Key

UJYDXGKMPAMBMG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00741433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.941

Distribution Coefficient, logD

0.941

Water Solubility, LogSw

-1.81

Polar Surface Area

91.302

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 8001-1445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-1445?
Check Price and Availability of 8001-1445, 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 8001-1445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-1445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-1445
  • 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 8001-1445 available by request