4004-0340 Screening compound: 2-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl morpholine-4-carboxylate

4004-0340 Screening compound: 2-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl morpholine-4-carboxylate
4004-0340 Screening compound: 2-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl morpholine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4004-0340
2-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl morpholine-4-carboxylate

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

4004-0340

Molecular Formula

C30H37NO7 (C30 H37 NO7)

Compound Name

2-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl morpholine-4-carboxylate

IUPAC name

2-ethoxy-4-(3366-tetramethyl-18-dioxo-23456789-octahydro-1H-xanthen-9-yl)phenyl morpholine-4-carboxylate

SMILES

CCOc(cc(C1C(C(CC(C)(C)C2)=O)=C2OC(CC(C)(C)C2)=C1C2=O)cc1)c1OC(N1CCOCC1)=O

InChI

InChI=1S/C30H37NO7/c1-6-36-22-13-18(7-8-21(22)38-28(34)31-9-11-35-12-10-31)25-26-19(32)14-29(2,3)16-23(26)37-24-17-30(4,5)15-20(33)27(24)25/h7-8,13,25H,6,9-12,14-17H2,1-5H3

InChI Key

YKWNRXZNXSAWIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02314432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.884

Distribution Coefficient, logD

3.884

Water Solubility, LogSw

-4.03

Polar Surface Area

71.199

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.70

4004-0340 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4004-0340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4004-0340?
Check Price and Availability of 4004-0340, 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 4004-0340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4004-0340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4004-0340
  • 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 4004-0340 available by request