5785-1700 Screening compound: (E)-[(pyridin-4-yl)methylidene]amino N-(4-methoxyphenyl)carbamate

5785-1700 Screening compound: (E)-[(pyridin-4-yl)methylidene]amino N-(4-methoxyphenyl)carbamate
5785-1700 Screening compound: (E)-[(pyridin-4-yl)methylidene]amino N-(4-methoxyphenyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5785-1700
(E)-[(pyridin-4-yl)methylidene]amino N-(4-methoxyphenyl)carbamate

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

5785-1700

Molecular Formula

C14H13N3O3 (C14 H13 N3 O3)

Compound Name

(E)-[(pyridin-4-yl)methylidene]amino N-(4-methoxyphenyl)carbamate

IUPAC name

(E)-[(pyridin-4-yl)methylidene]amino N-(4-methoxyphenyl)carbamate

SMILES

COc(cc1)ccc1NC(O/N=C/c1ccncc1)=O

InChI

InChI=1S/C14H13N3O3/c1-19-13-4-2-12(3-5-13)17-14(18)20-16-10-11-6-8-15-9-7-11/h2-10H,1H3,(H,17,18)

InChI Key

MHWKDLPEICHPQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.032

Distribution Coefficient, logD

2.032

Water Solubility, LogSw

-2.26

Polar Surface Area

57.382

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

5785-1700 in Drug Discovery

Included in Screening Libraries

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 5785-1700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5785-1700?
Check Price and Availability of 5785-1700, 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 5785-1700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5785-1700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5785-1700
  • 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 5785-1700 available by request