F781-0523 Screening compound: 1-(4-chlorophenyl)-3-[2-({5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]urea

F781-0523 Screening compound: 1-(4-chlorophenyl)-3-[2-({5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]urea
F781-0523 Screening compound: 1-(4-chlorophenyl)-3-[2-({5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F781-0523
1-(4-chlorophenyl)-3-[2-({5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]urea

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

F781-0523

Molecular Formula

C20H17ClN6OS (C20 H17 ClN6 OS)

Compound Name

1-(4-chlorophenyl)-3-[2-({5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]urea

IUPAC name

1-(4-chlorophenyl)-3-[2-({5-ethyl-[124]triazolo[15-a]pyrimidin-7-yl}sulfanyl)phenyl]urea

SMILES

CCc1nc2ncnn2c(Sc(cccc2)c2NC(Nc(cc2)ccc2Cl)=O)c1

InChI

InChI=1S/C20H17ClN6OS/c1-2-14-11-18(27-19(24-14)22-12-23-27)29-17-6-4-3-5-16(17)26-20(28)25-15-9-7-13(21)8-10-15/h3-12H,2H2,1H3,(H2,25,26,28)

InChI Key

AVTZQXBMVQXPSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27189730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.984

Distribution Coefficient, logD

4.984

Water Solubility, LogSw

-4.93

Polar Surface Area

64.043

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

F781-0523 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F781-0523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F781-0523?
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What is the minimum amount of F781-0523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F781-0523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F781-0523
  • 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 F781-0523 available by request