C301-3801 Screening compound: N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-3-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzamide

C301-3801 Screening compound: N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-3-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzamide
C301-3801 Screening compound: N-{3-[4-(5-chloro-2-methylphenyl)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 C301-3801
N-{3-[4-(5-chloro-2-methylphenyl)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

C301-3801

Molecular Formula

C29H30ClN9O (C29 H30 ClN9 O)

Compound Name

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

IUPAC name

N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-3-({[1234]tetrazolo[15-a]quinoxalin-4-yl}amino)benzamide

SMILES

Cc(ccc(Cl)c1)c1N1CCN(CCCNC(c2cc(Nc3nc(cccc4)c4n4nnnc34)ccc2)=O)CC1

InChI

InChI=1S/C29H30ClN9O/c1-20-10-11-22(30)19-26(20)38-16-14-37(15-17-38)13-5-12-31-29(40)21-6-4-7-23(18-21)32-27-28-34-35-36-39(28)25-9-3-2-8-24(25)33-27/h2-4,6-11,18-19H,5,12-17H2,1H3,(H,31,40)(H,32,33)

InChI Key

XPWUBWLIBRYISX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.07

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.770

Distribution Coefficient, logD

3.624

Water Solubility, LogSw

-4.68

Polar Surface Area

85.574

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

C301-3801 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 C301-3801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3801?
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What is the minimum amount of C301-3801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3801
  • 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 C301-3801 available by request