3601-0098 Screening compound: N-[(2E,5Z)-5-{[2,4-bis(morpholin-4-yl)-5-nitrophenyl]methylidene}-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

3601-0098 Screening compound: N-[(2E,5Z)-5-{[2,4-bis(morpholin-4-yl)-5-nitrophenyl]methylidene}-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
3601-0098 Screening compound: N-[(2E,5Z)-5-{[2,4-bis(morpholin-4-yl)-5-nitrophenyl]methylidene}-4-oxo-1,3-thiazolidin-2-ylidene]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3601-0098
N-[(2E,5Z)-5-{[2,4-bis(morpholin-4-yl)-5-nitrophenyl]methylidene}-4-oxo-1,3-thiazolidin-2-ylidene]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

3601-0098

Molecular Formula

C20H23N5O6S (C20 H23 N5 O6 S)

Compound Name

N-[(2E,5Z)-5-{[2,4-bis(morpholin-4-yl)-5-nitrophenyl]methylidene}-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

IUPAC name

N-[(2E5Z)-5-{[24-bis(morpholin-4-yl)-5-nitrophenyl]methylidene}-4-oxo-13-thiazolidin-2-ylidene]acetamide

SMILES

CC(/N=C(\NC1=O)/S/C1=C\c(cc(c(N1CCOCC1)c1)[N+]([O-])=O)c1N1CCOCC1)=O

InChI

InChI=1S/C20H23N5O6S/c1-13(26)21-20-22-19(27)18(32-20)11-14-10-17(25(28)29)16(24-4-8-31-9-5-24)12-15(14)23-2-6-30-7-3-23/h10-12H,2-9H2,1H3,(H,21,22,26,27)

InChI Key

BDSNNJXCUUOGPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02623521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.077

Distribution Coefficient, logD

0.246

Water Solubility, LogSw

-2.60

Polar Surface Area

102.703

Acid Dissociation Constant (pKa)

6.64

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

3601-0098 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3601-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3601-0098?
Check Price and Availability of 3601-0098, 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 3601-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3601-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3601-0098
  • 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 3601-0098 available by request