6882-0257 Screening compound: 1,3-dimethyl 5-[2-(4-ethyl-3-oxomorpholin-2-yl)acetamido]benzene-1,3-dicarboxylate

6882-0257 Screening compound: 1,3-dimethyl 5-[2-(4-ethyl-3-oxomorpholin-2-yl)acetamido]benzene-1,3-dicarboxylate
6882-0257 Screening compound: 1,3-dimethyl 5-[2-(4-ethyl-3-oxomorpholin-2-yl)acetamido]benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6882-0257
1,3-dimethyl 5-[2-(4-ethyl-3-oxomorpholin-2-yl)acetamido]benzene-1,3-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

6882-0257

Molecular Formula

C18H22N2O7 (C18 H22 N2 O7)

Compound Name

1,3-dimethyl 5-[2-(4-ethyl-3-oxomorpholin-2-yl)acetamido]benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-[2-(4-ethyl-3-oxomorpholin-2-yl)acetamido]benzene-13-dicarboxylate

SMILES

CCN(CCOC1CC(Nc2cc(C(OC)=O)cc(C(OC)=O)c2)=O)C1=O

InChI

InChI=1S/C18H22N2O7/c1-4-20-5-6-27-14(16(20)22)10-15(21)19-13-8-11(17(23)25-2)7-12(9-13)18(24)26-3/h7-9,14H,4-6,10H2,1-3H3,(H,19,21)/t14-/m0/s1

InChI Key

FEZRAXBMCLKMBC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD04172977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.541

Distribution Coefficient, logD

1.541

Water Solubility, LogSw

-2.25

Polar Surface Area

90.791

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

6882-0257 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 6882-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6882-0257?
Check Price and Availability of 6882-0257, 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 6882-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6882-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6882-0257
  • 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 6882-0257 available by request