C200-8639 Screening compound: ethyl 1-(2-{[(butan-2-yl)carbamoyl]methyl}-1-oxo-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxylate

C200-8639 Screening compound: ethyl 1-(2-{[(butan-2-yl)carbamoyl]methyl}-1-oxo-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxylate
C200-8639 Screening compound: ethyl 1-(2-{[(butan-2-yl)carbamoyl]methyl}-1-oxo-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8639
ethyl 1-(2-{[(butan-2-yl)carbamoyl]methyl}-1-oxo-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxylate

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

C200-8639

Molecular Formula

C23H30N6O4 (C23 H30 N6 O4)

Compound Name

ethyl 1-(2-{[(butan-2-yl)carbamoyl]methyl}-1-oxo-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(2-{[(butan-2-yl)carbamoyl]methyl}-1-oxo-1H2H-[124]triazolo[43-a]quinoxalin-4-yl)piperidine-4-carboxylate

SMILES

CCC(C)NC(CN(C1=O)N=C2N1c(cccc1)c1N=C2N(CC1)CCC1C(OCC)=O)=O

InChI

InChI=1S/C23H30N6O4/c1-4-15(3)24-19(30)14-28-23(32)29-18-9-7-6-8-17(18)25-20(21(29)26-28)27-12-10-16(11-13-27)22(31)33-5-2/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,24,30)/t15-/m0/s1

InChI Key

ZTJYQHGSOFREFJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD16637586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.057

Distribution Coefficient, logD

2.057

Water Solubility, LogSw

-2.52

Polar Surface Area

86.697

Acid Dissociation Constant (pKa)

16.55

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

C200-8639 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with C200-8639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8639?
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What is the minimum amount of C200-8639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8639
  • 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 C200-8639 available by request