F127-0541 Screening compound: N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)benzamide

F127-0541 Screening compound: N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)benzamide
F127-0541 Screening compound: N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F127-0541
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)benzamide

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

F127-0541

Molecular Formula

C24H23N7O2S (C24 H23 N7 O2 S)

Compound Name

N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-({5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}amino)benzamide

IUPAC name

N-[(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)methyl]-3-({5-oxo-5H-[134]thiadiazolo[23-b]quinazolin-2-yl}amino)benzamide

SMILES

CCn1nc(C)c(CNC(c2cccc(NC(SC3=Nc4c5cccc4)=NN3C5=O)c2)=O)c1C

InChI

InChI=1S/C24H23N7O2S/c1-4-30-15(3)19(14(2)28-30)13-25-21(32)16-8-7-9-17(12-16)26-23-29-31-22(33)18-10-5-6-11-20(18)27-24(31)34-23/h5-12H,4,13H2,1-3H3,(H,25,32)(H,26,29)

InChI Key

QGSVLALKUCLFGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14942677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.958

Distribution Coefficient, logD

2.949

Water Solubility, LogSw

-3.71

Polar Surface Area

85.558

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

F127-0541 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F127-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F127-0541?
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What is the minimum amount of F127-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F127-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F127-0541
  • 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 F127-0541 available by request