8012-0124 Screening compound: 6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-(pyridin-4-yl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

8012-0124 Screening compound: 6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-(pyridin-4-yl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
8012-0124 Screening compound: 6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-(pyridin-4-yl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0124
6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-(pyridin-4-yl)-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

8012-0124

Molecular Formula

C19H15N5O3 (C19 H15 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(C1C(C#N)=C(N)Oc2c1c(-c1ccncc1)n[nH]2)cc1)c1O

InChI

InChI=1S/C19H15N5O3/c1-26-14-8-11(2-3-13(14)25)15-12(9-20)18(21)27-19-16(15)17(23-24-19)10-4-6-22-7-5-10/h2-8,15,25H,21H2,1H3,(H,23,24)/t15-/m1/s1

InChI Key

CXMNQNVGINWOJC-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03035518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.924

Distribution Coefficient, logD

0.917

Water Solubility, LogSw

-1.30

Polar Surface Area

104.080

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 8012-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0124?
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What is the minimum amount of 8012-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0124
  • 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 8012-0124 available by request