5202-0584 Screening compound: 2-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}-3-methylpentanoic acid

5202-0584 Screening compound: 2-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}-3-methylpentanoic acid
5202-0584 Screening compound: 2-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}-3-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5202-0584
2-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}-3-methylpentanoic 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

5202-0584

Molecular Formula

C13H19NO6 (C13 H19 NO6)

Compound Name

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

IUPAC name

2-{[(22-dimethyl-46-dioxo-13-dioxan-5-ylidene)methyl]amino}-3-methylpentanoic acid

SMILES

CCC(C)C(C(O)=O)NC=C(C(OC(C)(C)O1)=O)C1=O

InChI

InChI=1S/C13H19NO6/c1-5-7(2)9(10(15)16)14-6-8-11(17)19-13(3,4)20-12(8)18/h6-7,9,14H,5H2,1-4H3,(H,15,16)

InChI Key

OXOCXUDGVVWWDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03084541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.119

Distribution Coefficient, logD

-2.612

Water Solubility, LogSw

-0.67

Polar Surface Area

82.399

Acid Dissociation Constant (pKa)

4.67

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.50

5202-0584 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5202-0584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5202-0584?
Check Price and Availability of 5202-0584, 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 5202-0584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5202-0584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5202-0584
  • 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 5202-0584 available by request