4646-0542 Screening compound: N-[(4-butoxyphenyl)methyl]-1-carbamimidamidomethanimidamide

4646-0542 Screening compound: N-[(4-butoxyphenyl)methyl]-1-carbamimidamidomethanimidamide
4646-0542 Screening compound: N-[(4-butoxyphenyl)methyl]-1-carbamimidamidomethanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4646-0542
N-[(4-butoxyphenyl)methyl]-1-carbamimidamidomethanimidamide

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

4646-0542

Molecular Formula

C13H21N5O (C13 H21 N5 O)

Compound Name

N-[(4-butoxyphenyl)methyl]-1-carbamimidamidomethanimidamide

IUPAC name

N-[(4-butoxyphenyl)methyl]-1-carbamimidamidomethanimidamide

SMILES

CCCCOc1ccc(CNC(NC(N)=N)=N)cc1

InChI

InChI=1S/C13H21N5O/c1-2-3-8-19-11-6-4-10(5-7-11)9-17-13(16)18-12(14)15/h4-7H,2-3,8-9H2,1H3,(H6,14,15,16,17,18)

InChI Key

SIJJASYHTCUKNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02320577

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

263.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.915

Distribution Coefficient, logD

-1.110

Water Solubility, LogSw

-1.77

Polar Surface Area

85.509

Acid Dissociation Constant (pKa)

14.68

Base Dissociation Constant (pKb)

9.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

4646-0542 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4646-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4646-0542?
Check Price and Availability of 4646-0542, 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 4646-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4646-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4646-0542
  • 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 4646-0542 available by request