3132-1151 Screening compound: 6-amino-4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-3-methyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

3132-1151 Screening compound: 6-amino-4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-3-methyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
3132-1151 Screening compound: 6-amino-4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-3-methyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3132-1151
6-amino-4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-3-methyl-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

3132-1151

Molecular Formula

C22H19N5O5 (C22 H19 N5 O5)

Compound Name

6-amino-4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-3-methyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

IUPAC name

6-amino-4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-3-methyl-2H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

Cc1c(C(c(cc2)cc(COc(cccc3)c3[N+]([O-])=O)c2OC)C(C#N)=C(N)O2)c2n[nH]1

InChI

InChI=1S/C22H19N5O5/c1-12-19-20(15(10-23)21(24)32-22(19)26-25-12)13-7-8-17(30-2)14(9-13)11-31-18-6-4-3-5-16(18)27(28)29/h3-9,20H,11,24H2,1-2H3,(H,25,26)/t20-/m0/s1

InChI Key

DYFYFNAZTCHCBJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01466470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.017

Distribution Coefficient, logD

3.017

Water Solubility, LogSw

-3.43

Polar Surface Area

118.576

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 3132-1151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3132-1151?
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What is the minimum amount of 3132-1151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3132-1151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3132-1151
  • 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 3132-1151 available by request