4181-3721 Screening compound: 1-carbamimidamido-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]methanimidamide

4181-3721 Screening compound: 1-carbamimidamido-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]methanimidamide
4181-3721 Screening compound: 1-carbamimidamido-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]methanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4181-3721
1-carbamimidamido-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]methanimidamide

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

4181-3721

Molecular Formula

C13H18N6O (C13 H18 N6 O)

Compound Name

1-carbamimidamido-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]methanimidamide

IUPAC name

1-carbamimidamido-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]methanimidamide

SMILES

COc(cc1)cc2c1[nH]cc2CCNC(NC(N)=N)=N

InChI

InChI=1S/C13H18N6O/c1-20-9-2-3-11-10(6-9)8(7-18-11)4-5-17-13(16)19-12(14)15/h2-3,6-7,18H,4-5H2,1H3,(H6,14,15,16,17,19)

InChI Key

XSLFITOXORFPQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03756658

Chemical and Physical Properties

Saltdata

H2SO4

Molecular Weight

274.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

7.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.104

Distribution Coefficient, logD

-2.500

Water Solubility, LogSw

-1.68

Polar Surface Area

95.348

Acid Dissociation Constant (pKa)

13.98

Base Dissociation Constant (pKb)

9.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4181-3721 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4181-3721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4181-3721?
Check Price and Availability of 4181-3721, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4181-3721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4181-3721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4181-3721
  • 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 4181-3721 available by request