5843-0754 Screening compound: 1,4-dimethyl 2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}benzene-1,4-dicarboxylate

5843-0754 Screening compound: 1,4-dimethyl 2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}benzene-1,4-dicarboxylate
5843-0754 Screening compound: 1,4-dimethyl 2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5843-0754
1,4-dimethyl 2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}benzene-1,4-dicarboxylate

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

5843-0754

Molecular Formula

C19H21NO6 (C19 H21 NO6)

Compound Name

1,4-dimethyl 2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-{[(44-dimethyl-26-dioxocyclohexylidene)methyl]amino}benzene-14-dicarboxylate

SMILES

CC(C)(CC(C1=CNc(cc(cc2)C(OC)=O)c2C(OC)=O)=O)CC1=O

InChI

InChI=1S/C19H21NO6/c1-19(2)8-15(21)13(16(22)9-19)10-20-14-7-11(17(23)25-3)5-6-12(14)18(24)26-4/h5-7,10,20H,8-9H2,1-4H3

InChI Key

RAQSZEYTWAWCOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.819

Distribution Coefficient, logD

-0.011

Water Solubility, LogSw

-3.30

Polar Surface Area

79.906

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 5843-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5843-0754?
Check Price and Availability of 5843-0754, 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 5843-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5843-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5843-0754
  • 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 5843-0754 available by request