Y021-1594 Screening compound: 1-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-4-methylbenzene

Y021-1594 Screening compound: 1-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-4-methylbenzene
Y021-1594 Screening compound: 1-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-4-methylbenzene alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1594
1-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-4-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

Y021-1594

Molecular Formula

C9H13N5 (C9 H13 N5)

Compound Name

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

IUPAC name

1-carbamimidamido-N-(4-methylphenyl)methanimidamide

SMILES

Cc(cc1)ccc1NC(NC(N)=N)=N

InChI

InChI=1S/C9H13N5/c1-6-2-4-7(5-3-6)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)

InChI Key

ILEIGUXOYKZHRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00466365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

191.24

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

0.988

Distribution Coefficient, logD

-2.243

Water Solubility, LogSw

-1.07

Polar Surface Area

76.770

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

10.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

Y021-1594 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y021-1594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1594?
Check Price and Availability of Y021-1594, 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 Y021-1594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1594
  • 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 Y021-1594 available by request