4514-1241 Screening compound: ethyl 4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate

4514-1241 Screening compound: ethyl 4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate
4514-1241 Screening compound: ethyl 4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-1241
ethyl 4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate

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

4514-1241

Molecular Formula

C23H26N2O6 (C23 H26 N2 O6)

Compound Name

ethyl 4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate

IUPAC name

ethyl 4-(3-{[2-(34-dimethoxyphenyl)ethyl]amino}-25-dioxopyrrolidin-1-yl)benzoate

SMILES

CCOC(c(cc1)ccc1N(C(CC1NCCc(cc2)cc(OC)c2OC)=O)C1=O)=O

InChI

InChI=1S/C23H26N2O6/c1-4-31-23(28)16-6-8-17(9-7-16)25-21(26)14-18(22(25)27)24-12-11-15-5-10-19(29-2)20(13-15)30-3/h5-10,13,18,24H,4,11-12,14H2,1-3H3/t18-/m0/s1

InChI Key

UKHRSEZFZWIWLG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01829995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.326

Distribution Coefficient, logD

1.326

Water Solubility, LogSw

-2.21

Polar Surface Area

76.765

Acid Dissociation Constant (pKa)

16.92

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

4514-1241 in Drug Discovery

Included in Screening Libraries

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 4514-1241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-1241?
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What is the minimum amount of 4514-1241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-1241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-1241
  • 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 4514-1241 available by request