Y021-1621 Screening compound: 2-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-4-chloro-1-methylbenzene

Y021-1621 Screening compound: 2-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-4-chloro-1-methylbenzene
Y021-1621 Screening compound: 2-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-4-chloro-1-methylbenzene alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1621
2-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-4-chloro-1-methylbenzene

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

Y021-1621

Molecular Formula

C9H12ClN5 (C9 H12 ClN5)

Compound Name

2-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-4-chloro-1-methylbenzene

IUPAC name

1-carbamimidamido-N-(5-chloro-2-methylphenyl)methanimidamide

SMILES

Cc(ccc(Cl)c1)c1NC(NC(N)=N)=N

InChI

InChI=1S/C9H12ClN5/c1-5-2-3-6(10)4-7(5)14-9(13)15-8(11)12/h2-4H,1H3,(H6,11,12,13,14,15)

InChI Key

SJPLIZPAHCNLFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03615418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

225.68

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.068

Distribution Coefficient, logD

-2.163

Water Solubility, LogSw

-1.94

Polar Surface Area

76.072

Acid Dissociation Constant (pKa)

12.93

Base Dissociation Constant (pKb)

10.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

Y021-1621 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y021-1621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1621?
Check Price and Availability of Y021-1621, 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 Y021-1621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1621
  • 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 Y021-1621 available by request