4335-0066 Screening compound: (Z)-[amino(4-methoxyphenyl)methylidene]amino 3-fluorobenzoate

4335-0066 Screening compound: (Z)-[amino(4-methoxyphenyl)methylidene]amino 3-fluorobenzoate
4335-0066 Screening compound: (Z)-[amino(4-methoxyphenyl)methylidene]amino 3-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4335-0066
(Z)-[amino(4-methoxyphenyl)methylidene]amino 3-fluorobenzoate

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

4335-0066

Molecular Formula

C15H13FN2O3 (C15 H13 FN2 O3)

Compound Name

(Z)-[amino(4-methoxyphenyl)methylidene]amino 3-fluorobenzoate

IUPAC name

(Z)-[amino(4-methoxyphenyl)methylidene]amino 3-fluorobenzoate

SMILES

COc(cc1)ccc1/C(/N)=N/OC(c1cccc(F)c1)=O

InChI

InChI=1S/C15H13FN2O3/c1-20-13-7-5-10(6-8-13)14(17)18-21-15(19)11-3-2-4-12(16)9-11/h2-9H,1H3,(H2,17,18)

InChI Key

OCHSYIDTCSECBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01894317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.588

Distribution Coefficient, logD

2.588

Water Solubility, LogSw

-2.95

Polar Surface Area

59.653

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 4335-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4335-0066?
Check Price and Availability of 4335-0066, 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 4335-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4335-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4335-0066
  • 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 4335-0066 available by request