3554-0546 Screening compound: 1,5-diethyl 2-[(4-{[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]amino}phenyl)formamido]pentanedioate

3554-0546 Screening compound: 1,5-diethyl 2-[(4-{[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]amino}phenyl)formamido]pentanedioate
3554-0546 Screening compound: 1,5-diethyl 2-[(4-{[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]amino}phenyl)formamido]pentanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3554-0546
1,5-diethyl 2-[(4-{[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]amino}phenyl)formamido]pentanedioate

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

3554-0546

Molecular Formula

C25H27N3O7 (C25 H27 N3 O7)

Compound Name

1,5-diethyl 2-[(4-{[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]amino}phenyl)formamido]pentanedioate

IUPAC name

15-diethyl 2-[(4-{[(13-dioxo-23-dihydro-1H-isoindol-2-yl)methyl]amino}phenyl)formamido]pentanedioate

SMILES

CCOC(CCC(C(OCC)=O)NC(c(cc1)ccc1NCN(C(c1c2cccc1)=O)C2=O)=O)=O

InChI

InChI=1S/C25H27N3O7/c1-3-34-21(29)14-13-20(25(33)35-4-2)27-22(30)16-9-11-17(12-10-16)26-15-28-23(31)18-7-5-6-8-19(18)24(28)32/h5-12,20,26H,3-4,13-15H2,1-2H3,(H,27,30)/t20-/m0/s1

InChI Key

XTPJBWUTBKKSGH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01605809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.558

Distribution Coefficient, logD

2.558

Water Solubility, LogSw

-2.93

Polar Surface Area

105.879

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

3554-0546 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3554-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3554-0546?
Check Price and Availability of 3554-0546, 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 3554-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3554-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3554-0546
  • 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 3554-0546 available by request