8013-4389 Screening compound: 6-amino-3-(pyridin-3-yl)-4-(2,4,5-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

8013-4389 Screening compound: 6-amino-3-(pyridin-3-yl)-4-(2,4,5-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
8013-4389 Screening compound: 6-amino-3-(pyridin-3-yl)-4-(2,4,5-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-4389
6-amino-3-(pyridin-3-yl)-4-(2,4,5-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

8013-4389

Molecular Formula

C21H19N5O4 (C21 H19 N5 O4)

Compound Name

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

IUPAC name

6-amino-3-(pyridin-3-yl)-4-(245-trimethoxyphenyl)-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

COc(cc1OC)c(C2C(C#N)=C(N)Oc3c2c(-c2cnccc2)n[nH]3)cc1OC

InChI

InChI=1S/C21H19N5O4/c1-27-14-8-16(29-3)15(28-2)7-12(14)17-13(9-22)20(23)30-21-18(17)19(25-26-21)11-5-4-6-24-10-11/h4-8,10,17H,23H2,1-3H3,(H,25,26)/t17-/m1/s1

InChI Key

TWVWUMKSPFOUJY-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03766581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.239

Distribution Coefficient, logD

1.237

Water Solubility, LogSw

-1.34

Polar Surface Area

102.882

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

5.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 8013-4389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-4389?
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What is the minimum amount of 8013-4389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-4389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-4389
  • 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 8013-4389 available by request