Y021-1613 Screening compound: 1-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-3-chlorobenzene

Y021-1613 Screening compound: 1-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-3-chlorobenzene
Y021-1613 Screening compound: 1-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-3-chlorobenzene alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1613
1-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-3-chlorobenzene

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

Y021-1613

Molecular Formula

C8H10ClN5 (C8 H10 ClN5)

Compound Name

1-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-3-chlorobenzene

IUPAC name

1-carbamimidamido-N-(3-chlorophenyl)methanimidamide

SMILES

NC(NC(Nc1cccc(Cl)c1)=N)=N

InChI

InChI=1S/C8H10ClN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)

InChI Key

DIHXJZHAIHGSAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01170843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

211.65

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

1.318

Distribution Coefficient, logD

-1.913

Water Solubility, LogSw

-1.70

Polar Surface Area

76.770

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

10.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y021-1613 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Ion Channels Annotated Library (353 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 Y021-1613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1613?
Check Price and Availability of Y021-1613, 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 Y021-1613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1613
  • 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 Y021-1613 available by request