8012-6667 Screening compound: 2-[6-amino-5-cyano-3-(pyridin-4-yl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]benzoic acid

8012-6667 Screening compound: 2-[6-amino-5-cyano-3-(pyridin-4-yl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]benzoic acid
8012-6667 Screening compound: 2-[6-amino-5-cyano-3-(pyridin-4-yl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6667
2-[6-amino-5-cyano-3-(pyridin-4-yl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]benzoic acid

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

8012-6667

Molecular Formula

C19H13N5O3 (C19 H13 N5 O3)

Compound Name

2-[6-amino-5-cyano-3-(pyridin-4-yl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]benzoic acid

IUPAC name

2-[6-amino-5-cyano-3-(pyridin-4-yl)-1H4H-pyrano[23-c]pyrazol-4-yl]benzoic acid

SMILES

NC(Oc1c(C2c(cccc3)c3C(O)=O)c(-c3ccncc3)n[nH]1)=C2C#N

InChI

InChI=1S/C19H13N5O3/c20-9-13-14(11-3-1-2-4-12(11)19(25)26)15-16(10-5-7-22-8-6-10)23-24-18(15)27-17(13)21/h1-8,14H,21H2,(H,23,24)(H,25,26)/t14-/m0/s1

InChI Key

LFFYQRWJUBIHQS-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03034488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.461

Distribution Coefficient, logD

-2.377

Water Solubility, LogSw

-1.62

Polar Surface Area

108.309

Acid Dissociation Constant (pKa)

3.56

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.30

8012-6667 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 8012-6667 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6667?
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What is the minimum amount of 8012-6667 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6667
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6667
  • 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 8012-6667 available by request