5785-1706 Screening compound: (9H-fluoren-9-ylidene)amino N-(4-methoxyphenyl)carbamate

5785-1706 Screening compound: (9H-fluoren-9-ylidene)amino N-(4-methoxyphenyl)carbamate
5785-1706 Screening compound: (9H-fluoren-9-ylidene)amino N-(4-methoxyphenyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5785-1706
(9H-fluoren-9-ylidene)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

5785-1706

Molecular Formula

C21H16N2O3 (C21 H16 N2 O3)

Compound Name

(9H-fluoren-9-ylidene)amino N-(4-methoxyphenyl)carbamate

IUPAC name

(9H-fluoren-9-ylidene)amino N-(4-methoxyphenyl)carbamate

SMILES

COc(cc1)ccc1NC(ON=C1c(cccc2)c2-c2c1cccc2)=O

InChI

InChI=1S/C21H16N2O3/c1-25-15-12-10-14(11-13-15)22-21(24)26-23-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13H,1H3,(H,22,24)

InChI Key

MCEKMHPPYCOROC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01826490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.464

Distribution Coefficient, logD

4.464

Water Solubility, LogSw

-4.40

Polar Surface Area

49.075

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

5785-1706 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 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 5785-1706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5785-1706?
Check Price and Availability of 5785-1706, 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 5785-1706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5785-1706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5785-1706
  • 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 5785-1706 available by request