5202-0589 Screening compound: 2-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}butanedioic acid

5202-0589 Screening compound: 2-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}butanedioic acid
5202-0589 Screening compound: 2-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}butanedioic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5202-0589
2-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}butanedioic acid

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

5202-0589

Molecular Formula

C11H13NO8 (C11 H13 NO8)

Compound Name

2-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}butanedioic acid

IUPAC name

2-{[(22-dimethyl-46-dioxo-13-dioxan-5-ylidene)methyl]amino}butanedioic acid

SMILES

CC(C)(OC(C1=CNC(CC(O)=O)C(O)=O)=O)OC1=O

InChI

InChI=1S/C11H13NO8/c1-11(2)19-9(17)5(10(18)20-11)4-12-6(8(15)16)3-7(13)14/h4,6,12H,3H2,1-2H3,(H,13,14)(H,15,16)/t6-/m0/s1

InChI Key

LGZXAFSLCQIYQH-LURJTMIESA-N

MDL Number (MFCD)

MFCD05025263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.23

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-1.933

Distribution Coefficient, logD

-5.136

Water Solubility, LogSw

-0.57

Polar Surface Area

111.061

Acid Dissociation Constant (pKa)

4.20

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 5202-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5202-0589?
Check Price and Availability of 5202-0589, 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 5202-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5202-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5202-0589
  • 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 5202-0589 available by request