8011-9074 Screening compound: 4-{6-amino-5-cyano-3-propyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate

8011-9074 Screening compound: 4-{6-amino-5-cyano-3-propyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate
8011-9074 Screening compound: 4-{6-amino-5-cyano-3-propyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9074
4-{6-amino-5-cyano-3-propyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate

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

8011-9074

Molecular Formula

C23H21N5O6S (C23 H21 N5 O6 S)

Compound Name

4-{6-amino-5-cyano-3-propyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate

IUPAC name

4-{6-amino-5-cyano-3-propyl-1H4H-pyrano[23-c]pyrazol-4-yl}-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate

SMILES

CCCc1n[nH]c2c1C(c(cc1[N+]([O-])=O)cc(OCC)c1OC(c1cccs1)=O)C(C#N)=C(N)O2

InChI

InChI=1S/C23H21N5O6S/c1-3-6-14-19-18(13(11-24)21(25)34-22(19)27-26-14)12-9-15(28(30)31)20(16(10-12)32-4-2)33-23(29)17-7-5-8-35-17/h5,7-10,18H,3-4,6,25H2,1-2H3,(H,26,27)/t18-/m0/s1

InChI Key

MWEXAJOEYYIVIR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03035410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.712

Distribution Coefficient, logD

3.712

Water Solubility, LogSw

-4.22

Polar Surface Area

133.100

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

8011-9074 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-9074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9074?
Check Price and Availability of 8011-9074, 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 8011-9074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9074
  • 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 8011-9074 available by request