5593-0559 Screening compound: methyl 2-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino}acetate

5593-0559 Screening compound: methyl 2-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino}acetate
5593-0559 Screening compound: methyl 2-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-0559
methyl 2-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino}acetate

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

5593-0559

Molecular Formula

C13H13BrN2O4 (C13 H13 BrN2 O4)

Compound Name

methyl 2-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino}acetate

IUPAC name

methyl 2-{[1-(4-bromophenyl)-25-dioxopyrrolidin-3-yl]amino}acetate

SMILES

COC(CNC(CC(N1c(cc2)ccc2Br)=O)C1=O)=O

InChI

InChI=1S/C13H13BrN2O4/c1-20-12(18)7-15-10-6-11(17)16(13(10)19)9-4-2-8(14)3-5-9/h2-5,10,15H,6-7H2,1H3/t10-/m1/s1

InChI Key

RIKVREYPYKGLOT-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD02293665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.16

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.077

Distribution Coefficient, logD

0.077

Water Solubility, LogSw

-1.70

Polar Surface Area

61.759

Acid Dissociation Constant (pKa)

16.02

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

5593-0559 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5593-0559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-0559?
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What is the minimum amount of 5593-0559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-0559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-0559
  • 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 5593-0559 available by request