F831-0705 Screening compound: methyl 4-[(2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetyl)amino]benzoate

F831-0705 Screening compound: methyl 4-[(2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetyl)amino]benzoate
F831-0705 Screening compound: methyl 4-[(2-{[9-(4-chlorophenyl)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 F831-0705
methyl 4-[(2-{[9-(4-chlorophenyl)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

F831-0705

Molecular Formula

C23H17ClN6O3S (C23 H17 ClN6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1NC(CSc1nnc(c2c3)n1ccn2nc3-c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C23H17ClN6O3S/c1-33-22(32)15-4-8-17(9-5-15)25-20(31)13-34-23-27-26-21-19-12-18(14-2-6-16(24)7-3-14)28-30(19)11-10-29(21)23/h2-12H,13H2,1H3,(H,25,31)

InChI Key

UXJKQJMXZUZXIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27196968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.906

Distribution Coefficient, logD

3.836

Water Solubility, LogSw

-4.44

Polar Surface Area

77.631

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

F831-0705 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Immunological Library (6760 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with F831-0705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-0705?
Check Price and Availability of F831-0705, 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 F831-0705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-0705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-0705
  • 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 F831-0705 available by request