2829-5188 Screening compound: 6-amino-4-(2,6-dichlorophenyl)-3-methyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

2829-5188 Screening compound: 6-amino-4-(2,6-dichlorophenyl)-3-methyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
2829-5188 Screening compound: 6-amino-4-(2,6-dichlorophenyl)-3-methyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2829-5188
6-amino-4-(2,6-dichlorophenyl)-3-methyl-1-phenyl-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

2829-5188

Molecular Formula

C20H14Cl2N4O (C20 H14 Cl2 N4 O)

Compound Name

6-amino-4-(2,6-dichlorophenyl)-3-methyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

IUPAC name

6-amino-4-(26-dichlorophenyl)-3-methyl-1-phenyl-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

Cc(c(C1c(c(Cl)ccc2)c2Cl)c2OC(N)=C1C#N)nn2-c1ccccc1

InChI

InChI=1S/C20H14Cl2N4O/c1-11-16-17(18-14(21)8-5-9-15(18)22)13(10-23)19(24)27-20(16)26(25-11)12-6-3-2-4-7-12/h2-9,17H,24H2,1H3/t17-/m0/s1

InChI Key

LCELAGJZSJSQHN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01100992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.603

Distribution Coefficient, logD

3.603

Water Solubility, LogSw

-3.92

Polar Surface Area

59.317

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

2829-5188 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2829-5188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2829-5188?
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What is the minimum amount of 2829-5188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2829-5188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2829-5188
  • 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 2829-5188 available by request