8010-0135 Screening compound: 4-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}-2,6-dimethoxyphenyl acetate

8010-0135 Screening compound: 4-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}-2,6-dimethoxyphenyl acetate
8010-0135 Screening compound: 4-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}-2,6-dimethoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0135
4-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}-2,6-dimethoxyphenyl 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

8010-0135

Molecular Formula

C18H18N4O5 (C18 H18 N4 O5)

Compound Name

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

IUPAC name

4-{6-amino-5-cyano-3-methyl-1H4H-pyrano[23-c]pyrazol-4-yl}-26-dimethoxyphenyl acetate

SMILES

CC(Oc(c(OC)cc(C1C(C#N)=C(N)Oc2c1c(C)n[nH]2)c1)c1OC)=O

InChI

InChI=1S/C18H18N4O5/c1-8-14-15(11(7-19)17(20)27-18(14)22-21-8)10-5-12(24-3)16(26-9(2)23)13(6-10)25-4/h5-6,15H,20H2,1-4H3,(H,21,22)/t15-/m0/s1

InChI Key

OANIVTCYDQILSF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01926220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.965

Distribution Coefficient, logD

0.965

Water Solubility, LogSw

-1.71

Polar Surface Area

106.736

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

8010-0135 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8010-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0135?
Check Price and Availability of 8010-0135, 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 8010-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0135
  • 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 8010-0135 available by request