6687-0046 Screening compound: (Z)-[amino(3,4-dimethoxyphenyl)methylidene]amino 3-bromobenzoate

6687-0046 Screening compound: (Z)-[amino(3,4-dimethoxyphenyl)methylidene]amino 3-bromobenzoate
6687-0046 Screening compound: (Z)-[amino(3,4-dimethoxyphenyl)methylidene]amino 3-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6687-0046
(Z)-[amino(3,4-dimethoxyphenyl)methylidene]amino 3-bromobenzoate

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

6687-0046

Molecular Formula

C16H15BrN2O4 (C16 H15 BrN2 O4)

Compound Name

(Z)-[amino(3,4-dimethoxyphenyl)methylidene]amino 3-bromobenzoate

IUPAC name

(Z)-[amino(34-dimethoxyphenyl)methylidene]amino 3-bromobenzoate

SMILES

COc(ccc(/C(/N)=N/OC(c1cccc(Br)c1)=O)c1)c1OC

InChI

InChI=1S/C16H15BrN2O4/c1-21-13-7-6-10(9-14(13)22-2)15(18)19-23-16(20)11-4-3-5-12(17)8-11/h3-9H,1-2H3,(H2,18,19)

InChI Key

IHCMNXIOCFRWHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02219312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.930

Distribution Coefficient, logD

2.930

Water Solubility, LogSw

-3.33

Polar Surface Area

67.370

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

6687-0046 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 6687-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6687-0046?
Check Price and Availability of 6687-0046, 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 6687-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6687-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6687-0046
  • 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 6687-0046 available by request