4514-1445 Screening compound: ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}propanoate

4514-1445 Screening compound: ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}propanoate
4514-1445 Screening compound: ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-1445
ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}propanoate

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

4514-1445

Molecular Formula

C15H17IN2O4S (C15 H17 IN2 O4 S)

Compound Name

ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}propanoate

IUPAC name

ethyl 2-amino-3-{[1-(4-iodophenyl)-25-dioxopyrrolidin-3-yl]sulfanyl}propanoate

SMILES

CCOC(C(CSC(CC(N1c(cc2)ccc2I)=O)C1=O)N)=O

InChI

InChI=1S/C15H17IN2O4S/c1-2-22-15(21)11(17)8-23-12-7-13(19)18(14(12)20)10-5-3-9(16)4-6-10/h3-6,11-12H,2,7-8,17H2,1H3

InChI Key

NXQCKDNMDMGVKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02646694

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

448.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.044

Distribution Coefficient, logD

1.015

Water Solubility, LogSw

-2.27

Polar Surface Area

70.972

Acid Dissociation Constant (pKa)

16.92

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 4514-1445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-1445?
Check Price and Availability of 4514-1445, 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 4514-1445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-1445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-1445
  • 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 4514-1445 available by request