4333-4132 Screening compound: 4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl acetate

4333-4132 Screening compound: 4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl acetate
4333-4132 Screening compound: 4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4333-4132
4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl acetate

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

4333-4132

Molecular Formula

C24H20N4O7 (C24 H20 N4 O7)

Compound Name

4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl acetate

IUPAC name

4-[6-amino-3-(2H-13-benzodioxol-5-yl)-5-cyano-1H4H-pyrano[23-c]pyrazol-4-yl]-26-dimethoxyphenyl acetate

SMILES

CC(Oc(c(OC)cc(C1C(C#N)=C(N)Oc2c1c(-c(cc1)cc3c1OCO3)n[nH]2)c1)c1OC)=O

InChI

InChI=1S/C24H20N4O7/c1-11(29)34-22-17(30-2)7-13(8-18(22)31-3)19-14(9-25)23(26)35-24-20(19)21(27-28-24)12-4-5-15-16(6-12)33-10-32-15/h4-8,19H,10,26H2,1-3H3,(H,27,28)/t19-/m0/s1

InChI Key

SNYQQWITYDDNGE-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01971856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.447

Distribution Coefficient, logD

2.447

Water Solubility, LogSw

-3.09

Polar Surface Area

123.774

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 4333-4132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4333-4132?
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What is the minimum amount of 4333-4132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4333-4132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4333-4132
  • 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 4333-4132 available by request