8019-8397 Screening compound: 6-amino-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-(propan-2-yl)-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

8019-8397 Screening compound: 6-amino-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-(propan-2-yl)-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
8019-8397 Screening compound: 6-amino-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-(propan-2-yl)-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8397
6-amino-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-(propan-2-yl)-2H,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

8019-8397

Molecular Formula

C18H18N4O4 (C18 H18 N4 O4)

Compound Name

6-amino-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-(propan-2-yl)-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

IUPAC name

6-amino-4-(7-methoxy-2H-13-benzodioxol-5-yl)-3-(propan-2-yl)-2H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

CC(C)c1c(C(c2cc(OC)c3OCOc3c2)C(C#N)=C(N)O2)c2n[nH]1

InChI

InChI=1S/C18H18N4O4/c1-8(2)15-14-13(10(6-19)17(20)26-18(14)22-21-15)9-4-11(23-3)16-12(5-9)24-7-25-16/h4-5,8,13H,7,20H2,1-3H3,(H,21,22)/t13-/m1/s1

InChI Key

NTCKKRUZZHJSGL-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD08741790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.800

Distribution Coefficient, logD

2.800

Water Solubility, LogSw

-3.25

Polar Surface Area

95.175

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8019-8397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8397?
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What is the minimum amount of 8019-8397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8397
  • 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 8019-8397 available by request