8010-5602 Screening compound: 6-amino-3-(3,4-dimethoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide

8010-5602 Screening compound: 6-amino-3-(3,4-dimethoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide
8010-5602 Screening compound: 6-amino-3-(3,4-dimethoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5602
6-amino-3-(3,4-dimethoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide

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

8010-5602

Molecular Formula

C22H17F3N4O3 (C22 H17 F3 N4 O3)

Compound Name

6-amino-3-(3,4-dimethoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide

IUPAC name

6-amino-3-(34-dimethoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

COc(ccc(-c1n[nH]c2c1C(c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2)c1)c1OC

InChI

InChI=1S/C22H17F3N4O3/c1-30-15-8-5-12(9-16(15)31-2)19-18-17(11-3-6-13(7-4-11)22(23,24)25)14(10-26)20(27)32-21(18)29-28-19/h3-9,17H,27H2,1-2H3,(H,28,29)/t17-/m0/s1

InChI Key

QFHZDEZQCPPKFD-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02110672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.4

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

3.518

Distribution Coefficient, logD

3.518

Water Solubility, LogSw

-3.99

Polar Surface Area

85.734

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.18

References: we are preparing a list of scientific research reports with 8010-5602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5602?
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What is the minimum amount of 8010-5602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5602
  • 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 8010-5602 available by request