C600-0133 Screening compound: N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-3-(N'-{2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}hydrazinecarbonyl)propanamide

C600-0133 Screening compound: N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-3-(N'-{2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}hydrazinecarbonyl)propanamide
C600-0133 Screening compound: N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-3-(N'-{2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}hydrazinecarbonyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C600-0133
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-3-(N'-{2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}hydrazinecarbonyl)propanamide

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

C600-0133

Molecular Formula

C27H32FN9O2 (C27 H32 FN9 O2)

Compound Name

N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-3-(N'-{2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}hydrazinecarbonyl)propanamide

IUPAC name

N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-3-(N'-{2-methyl-[124]triazolo[15-c]quinazolin-5-yl}hydrazinecarbonyl)propanamide

SMILES

Cc1nn2c(NNC(CCC(NCCCN(CC3)CCN3c(cc3)ccc3F)=O)=O)nc(cccc3)c3c2n1

InChI

InChI=1S/C27H32FN9O2/c1-19-30-26-22-5-2-3-6-23(22)31-27(37(26)34-19)33-32-25(39)12-11-24(38)29-13-4-14-35-15-17-36(18-16-35)21-9-7-20(28)8-10-21/h2-3,5-10H,4,11-18H2,1H3,(H,29,38)(H,31,33)(H,32,39)

InChI Key

ZUZSHCWWLRBQMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.193

Distribution Coefficient, logD

0.597

Water Solubility, LogSw

-2.14

Polar Surface Area

99.638

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C600-0133 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C600-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C600-0133?
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What is the minimum amount of C600-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C600-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C600-0133
  • 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 C600-0133 available by request