4477-1937 Screening compound: N-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]-2-bromobenzamide

4477-1937 Screening compound: N-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]-2-bromobenzamide
4477-1937 Screening compound: N-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]-2-bromobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-1937
N-[(E)-amino[(1,3-benzoxazol-2-yl)amino]methylidene]-2-bromobenzamide

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

4477-1937

Molecular Formula

C15H11BrN4O2 (C15 H11 BrN4 O2)

Compound Name

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

IUPAC name

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

SMILES

N/C(/Nc1nc(cccc2)c2o1)=N\C(c(cccc1)c1Br)=O

InChI

InChI=1S/C15H11BrN4O2/c16-10-6-2-1-5-9(10)13(21)19-14(17)20-15-18-11-7-3-4-8-12(11)22-15/h1-8H,(H3,17,18,19,20,21)

InChI Key

CFQQRTFDTGAAGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01975704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.18

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

2.867

Distribution Coefficient, logD

0.407

Water Solubility, LogSw

-3.60

Polar Surface Area

70.762

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4477-1937 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4477-1937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-1937?
Check Price and Availability of 4477-1937, 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 4477-1937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-1937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-1937
  • 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 4477-1937 available by request