4999-1700 Screening compound: N-(4-bromophenyl)-2-[(5Z)-5-{[5-(morpholin-4-yl)furan-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

4999-1700 Screening compound: N-(4-bromophenyl)-2-[(5Z)-5-{[5-(morpholin-4-yl)furan-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
4999-1700 Screening compound: N-(4-bromophenyl)-2-[(5Z)-5-{[5-(morpholin-4-yl)furan-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4999-1700
N-(4-bromophenyl)-2-[(5Z)-5-{[5-(morpholin-4-yl)furan-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

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

4999-1700

Molecular Formula

C20H18BrN3O5S (C20 H18 BrN3 O5 S)

Compound Name

N-(4-bromophenyl)-2-[(5Z)-5-{[5-(morpholin-4-yl)furan-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

IUPAC name

N-(4-bromophenyl)-2-[(5Z)-5-{[5-(morpholin-4-yl)furan-2-yl]methylidene}-24-dioxo-13-thiazolidin-3-yl]acetamide

SMILES

O=C(CN(C(/C(/S1)=C/c2ccc(N3CCOCC3)o2)=O)C1=O)Nc(cc1)ccc1Br

InChI

InChI=1S/C20H18BrN3O5S/c21-13-1-3-14(4-2-13)22-17(25)12-24-19(26)16(30-20(24)27)11-15-5-6-18(29-15)23-7-9-28-10-8-23/h1-6,11H,7-10,12H2,(H,22,25)

InChI Key

YZEDJLCVJKPAOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04365506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.801

Distribution Coefficient, logD

3.801

Water Solubility, LogSw

-3.95

Polar Surface Area

72.555

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4999-1700 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4999-1700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4999-1700?
Check Price and Availability of 4999-1700, 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 4999-1700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4999-1700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4999-1700
  • 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 4999-1700 available by request