3132-1154 Screening compound: 6-amino-4-{3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl}-3-methyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

3132-1154 Screening compound: 6-amino-4-{3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl}-3-methyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
3132-1154 Screening compound: 6-amino-4-{3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl}-3-methyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3132-1154
6-amino-4-{3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl}-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

3132-1154

Molecular Formula

C22H19ClN4O3 (C22 H19 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(c(cc2)cc(COc3cccc(Cl)c3)c2OC)C(C#N)=C(N)O2)c2n[nH]1

InChI

InChI=1S/C22H19ClN4O3/c1-12-19-20(17(10-24)21(25)30-22(19)27-26-12)13-6-7-18(28-2)14(8-13)11-29-16-5-3-4-15(23)9-16/h3-9,20H,11,25H2,1-2H3,(H,26,27)/t20-/m0/s1

InChI Key

XJQCRGIETLTHLU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01605350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.106

Distribution Coefficient, logD

4.106

Water Solubility, LogSw

-4.80

Polar Surface Area

85.409

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 3132-1154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3132-1154?
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What is the minimum amount of 3132-1154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3132-1154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3132-1154
  • 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 3132-1154 available by request