0478-0685 Screening compound: 4-[(3,4-diaminophenyl)methyl]benzene-1,2-diamine

0478-0685 Screening compound: 4-[(3,4-diaminophenyl)methyl]benzene-1,2-diamine
0478-0685 Screening compound: 4-[(3,4-diaminophenyl)methyl]benzene-1,2-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0478-0685
4-[(3,4-diaminophenyl)methyl]benzene-1,2-diamine

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

0478-0685

Molecular Formula

C13H16N4 (C13 H16 N4)

Compound Name

4-[(3,4-diaminophenyl)methyl]benzene-1,2-diamine

IUPAC name

4-[(34-diaminophenyl)methyl]benzene-12-diamine

SMILES

Nc(ccc(Cc(cc1)cc(N)c1N)c1)c1N

InChI

InChI=1S/C13H16N4/c14-10-3-1-8(6-12(10)16)5-9-2-4-11(15)13(17)7-9/h1-4,6-7H,5,14-17H2

InChI Key

ILPWTQGYOZFLBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00226956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

228.3

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

8.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.706

Distribution Coefficient, logD

0.697

Water Solubility, LogSw

-1.10

Polar Surface Area

80.351

Acid Dissociation Constant (pKa)

20.73

Base Dissociation Constant (pKb)

8.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

0478-0685 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0478-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0478-0685?
Check Price and Availability of 0478-0685, 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 0478-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0478-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0478-0685
  • 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 0478-0685 available by request