8003-0385 Screening compound: 6-amino-4-(5-bromo-2-ethoxyphenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide

8003-0385 Screening compound: 6-amino-4-(5-bromo-2-ethoxyphenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide
8003-0385 Screening compound: 6-amino-4-(5-bromo-2-ethoxyphenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0385
6-amino-4-(5-bromo-2-ethoxyphenyl)-3-methyl-1-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

8003-0385

Molecular Formula

C22H19BrN4O2 (C22 H19 BrN4 O2)

Compound Name

6-amino-4-(5-bromo-2-ethoxyphenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide

IUPAC name

6-amino-4-(5-bromo-2-ethoxyphenyl)-3-methyl-1-phenyl-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

CCOc(cc1)c(C2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1Br

InChI

InChI=1S/C22H19BrN4O2/c1-3-28-18-10-9-14(23)11-16(18)20-17(12-24)21(25)29-22-19(20)13(2)26-27(22)15-7-5-4-6-8-15/h4-11,20H,3,25H2,1-2H3/t20-/m0/s1

InChI Key

PQVUSVXUGQCLFW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00742734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.421

Distribution Coefficient, logD

4.421

Water Solubility, LogSw

-4.57

Polar Surface Area

66.527

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.18

References: we are preparing a list of scientific research reports with 8003-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0385?
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What is the minimum amount of 8003-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0385
  • 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 8003-0385 available by request