F833-0035 Screening compound: methyl 2-({2-[3-oxo-9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetyl}amino)benzoate

F833-0035 Screening compound: methyl 2-({2-[3-oxo-9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetyl}amino)benzoate
F833-0035 Screening compound: methyl 2-({2-[3-oxo-9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F833-0035
methyl 2-({2-[3-oxo-9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetyl}amino)benzoate

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

F833-0035

Molecular Formula

C23H18N6O4 (C23 H18 N6 O4)

Compound Name

methyl 2-({2-[3-oxo-9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetyl}amino)benzoate

IUPAC name

methyl 2-(2-{5-oxo-11-phenyl-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)2710-tetraen-4-yl}acetamido)benzoate

SMILES

COC(c(cccc1)c1NC(CN1N=C(c2cc(-c3ccccc3)nn2C=C2)N2C1=O)=O)=O

InChI

InChI=1S/C23H18N6O4/c1-33-22(31)16-9-5-6-10-17(16)24-20(30)14-29-23(32)27-11-12-28-19(21(27)26-29)13-18(25-28)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,24,30)

InChI Key

NGOKRAINESIJLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27197433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.398

Distribution Coefficient, logD

2.394

Water Solubility, LogSw

-3.28

Polar Surface Area

86.945

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

F833-0035 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F833-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F833-0035?
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What is the minimum amount of F833-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F833-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F833-0035
  • 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 F833-0035 available by request