5664-0202 Screening compound: [(E)-(1-{3,8,8-trimethyl-1,6-dioxo-2,7-dioxaspiro[4.4]nonan-3-yl}ethylidene)amino]urea

5664-0202 Screening compound: [(E)-(1-{3,8,8-trimethyl-1,6-dioxo-2,7-dioxaspiro[4.4]nonan-3-yl}ethylidene)amino]urea
5664-0202 Screening compound: [(E)-(1-{3,8,8-trimethyl-1,6-dioxo-2,7-dioxaspiro[4.4]nonan-3-yl}ethylidene)amino]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5664-0202
[(E)-(1-{3,8,8-trimethyl-1,6-dioxo-2,7-dioxaspiro[4.4]nonan-3-yl}ethylidene)amino]urea

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

5664-0202

Molecular Formula

C13H19N3O5 (C13 H19 N3 O5)

Compound Name

[(E)-(1-{3,8,8-trimethyl-1,6-dioxo-2,7-dioxaspiro[4.4]nonan-3-yl}ethylidene)amino]urea

IUPAC name

[(E)-(1-{388-trimethyl-16-dioxo-27-dioxaspiro[4.4]nonan-3-yl}ethylidene)amino]urea

SMILES

CC(C)(CC1(CC(C)(/C(/C)=N/NC(N)=O)O2)C2=O)OC1=O

InChI

InChI=1S/C13H19N3O5/c1-7(15-16-10(14)19)12(4)6-13(9(18)21-12)5-11(2,3)20-8(13)17/h5-6H2,1-4H3,(H3,14,16,19)/b15-7+

InChI Key

XUZRWPYILFNIRR-VIZOYTHASA-N

MDL Number (MFCD)

MFCD02187668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.741

Distribution Coefficient, logD

0.740

Water Solubility, LogSw

-0.62

Polar Surface Area

97.105

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

69.20

References: we are preparing a list of scientific research reports with 5664-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5664-0202?
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What is the minimum amount of 5664-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5664-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5664-0202
  • 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 5664-0202 available by request