C301-3800 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-3-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzamide

C301-3800 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-3-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzamide
C301-3800 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-3-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3800
N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-3-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-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

C301-3800

Molecular Formula

C29H31N9O2 (C29 H31 N9 O2)

Compound Name

N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-3-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzamide

IUPAC name

N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-3-({[1234]tetrazolo[15-a]quinoxalin-4-yl}amino)benzamide

SMILES

COc(cc1)ccc1N1CCN(CCCNC(c2cc(Nc3nc(cccc4)c4n4nnnc34)ccc2)=O)CC1

InChI

InChI=1S/C29H31N9O2/c1-40-24-12-10-23(11-13-24)37-18-16-36(17-19-37)15-5-14-30-29(39)21-6-4-7-22(20-21)31-27-28-33-34-35-38(28)26-9-3-2-8-25(26)32-27/h2-4,6-13,20H,5,14-19H2,1H3,(H,30,39)(H,31,32)

InChI Key

LQGXIZJHZFDPBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.591

Distribution Coefficient, logD

3.048

Water Solubility, LogSw

-3.84

Polar Surface Area

93.418

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

C301-3800 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Agro:
  • Agro
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-3800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3800?
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What is the minimum amount of C301-3800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3800
  • 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 C301-3800 available by request