3652-0036 Screening compound: N-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]propanamide

3652-0036 Screening compound: N-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]propanamide
3652-0036 Screening compound: N-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3652-0036
N-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]propanamide

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

3652-0036

Molecular Formula

C11H12N4O2 (C11 H12 N4 O2)

Compound Name

N-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]propanamide

IUPAC name

N-[(E)-amino[(13-benzoxazol-2-yl)amino]methylidene]propanamide

SMILES

CCC(/N=C(\N)/Nc1nc(cccc2)c2o1)=O

InChI

InChI=1S/C11H12N4O2/c1-2-9(16)14-10(12)15-11-13-7-5-3-4-6-8(7)17-11/h3-6H,2H2,1H3,(H3,12,13,14,15,16)

InChI Key

QBGCZMGFODIOGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02127768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.369

Distribution Coefficient, logD

-0.062

Water Solubility, LogSw

-2.09

Polar Surface Area

70.820

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

8.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3652-0036 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3652-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3652-0036?
Check Price and Availability of 3652-0036, 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 3652-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3652-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3652-0036
  • 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 3652-0036 available by request