1852-0202 Screening compound: 6-amino-3-methyl-1-phenyl-4-[4-(trifluoromethyl)phenyl]-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

1852-0202 Screening compound: 6-amino-3-methyl-1-phenyl-4-[4-(trifluoromethyl)phenyl]-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
1852-0202 Screening compound: 6-amino-3-methyl-1-phenyl-4-[4-(trifluoromethyl)phenyl]-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1852-0202
6-amino-3-methyl-1-phenyl-4-[4-(trifluoromethyl)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

1852-0202

Molecular Formula

C21H15F3N4O (C21 H15 F3 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(C1c2ccc(C(F)(F)F)cc2)c2OC(N)=C1C#N)nn2-c1ccccc1

InChI

InChI=1S/C21H15F3N4O/c1-12-17-18(13-7-9-14(10-8-13)21(22,23)24)16(11-25)19(26)29-20(17)28(27-12)15-5-3-2-4-6-15/h2-10,18H,26H2,1H3/t18-/m0/s1

InChI Key

XRTDHHGQZROQLM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01839318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.896

Distribution Coefficient, logD

3.896

Water Solubility, LogSw

-4.28

Polar Surface Area

59.317

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

1852-0202 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1852-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1852-0202?
Check Price and Availability of 1852-0202, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1852-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1852-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1852-0202
  • 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 1852-0202 available by request