4205-0081 Screening compound: 1H-1,3-benzodiazole-5,6-diamine

4205-0081 Screening compound: 1H-1,3-benzodiazole-5,6-diamine
4205-0081 Screening compound: 1H-1,3-benzodiazole-5,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4205-0081
1H-1,3-benzodiazole-5,6-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

4205-0081

Molecular Formula

C7H8N4 (C7 H8 N4)

Compound Name

1H-1,3-benzodiazole-5,6-diamine

IUPAC name

1H-13-benzodiazole-56-diamine

SMILES

Nc(c(N)c1)cc2c1nc[nH]2

InChI

InChI=1S/C7H8N4/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,8-9H2,(H,10,11)

InChI Key

SJVPHAOWYMKBPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

148.17

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.050

Distribution Coefficient, logD

-0.028

Water Solubility, LogSw

-1.64

Polar Surface Area

60.960

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4205-0081 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 4205-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4205-0081?
Check Price and Availability of 4205-0081, 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 4205-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4205-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4205-0081
  • 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 4205-0081 available by request