F831-0480 Screening compound: ethyl 3-[(2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetyl)amino]benzoate

F831-0480 Screening compound: ethyl 3-[(2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetyl)amino]benzoate
F831-0480 Screening compound: ethyl 3-[(2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F831-0480
ethyl 3-[(2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}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

F831-0480

Molecular Formula

C25H22N6O3S (C25 H22 N6 O3 S)

Compound Name

ethyl 3-[(2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetyl)amino]benzoate

IUPAC name

ethyl 3-(2-{[11-(4-methylphenyl)-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)24710-pentaen-5-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c1cccc(NC(CSc2nnc(c3c4)n2ccn3nc4-c2ccc(C)cc2)=O)c1)=O

InChI

InChI=1S/C25H22N6O3S/c1-3-34-24(33)18-5-4-6-19(13-18)26-22(32)15-35-25-28-27-23-21-14-20(17-9-7-16(2)8-10-17)29-31(21)12-11-30(23)25/h4-14H,3,15H2,1-2H3,(H,26,32)

InChI Key

UIHDHUPIMDKGKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27196876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.426

Distribution Coefficient, logD

4.128

Water Solubility, LogSw

-4.25

Polar Surface Area

77.211

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

F831-0480 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCL1 Targeted Library (12200 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with F831-0480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-0480?
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What is the minimum amount of F831-0480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-0480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-0480
  • 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 F831-0480 available by request