8011-8989 Screening compound: 6-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

8011-8989 Screening compound: 6-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
8011-8989 Screening compound: 6-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-8989
6-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-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

8011-8989

Molecular Formula

C23H19BrN4O6 (C23 H19 BrN4 O6)

Compound Name

6-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

IUPAC name

6-amino-4-(6-bromo-2H-13-benzodioxol-5-yl)-3-(345-trimethoxyphenyl)-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

COc1cc(-c2n[nH]c3c2C(c(cc2OCOc2c2)c2Br)C(C#N)=C(N)O3)cc(OC)c1OC

InChI

InChI=1S/C23H19BrN4O6/c1-29-16-4-10(5-17(30-2)21(16)31-3)20-19-18(12(8-25)22(26)34-23(19)28-27-20)11-6-14-15(7-13(11)24)33-9-32-14/h4-7,18H,9,26H2,1-3H3,(H,27,28)/t18-/m0/s1

InChI Key

QRDMWNPWCFYYDB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03035392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.132

Distribution Coefficient, logD

3.132

Water Solubility, LogSw

-3.37

Polar Surface Area

110.566

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

8011-8989 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8011-8989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-8989?
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What is the minimum amount of 8011-8989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-8989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-8989
  • 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 8011-8989 available by request