5756-0249 Screening compound: 6-[(5Z)-5-[(9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

5756-0249 Screening compound: 6-[(5Z)-5-[(9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
5756-0249 Screening compound: 6-[(5Z)-5-[(9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5756-0249
6-[(5Z)-5-[(9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

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

5756-0249

Molecular Formula

C26H33N5O5S2 (C26 H33 N5 O5 S2)

Compound Name

6-[(5Z)-5-[(9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

IUPAC name

6-[(5Z)-5-[(9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]hexanoic acid

SMILES

CC(C1=NC(NCCCN2CCOCC2)=C2/C=C(/C(N3CCCCCC(O)=O)=O)\SC3=S)=CC=CN1C2=O

InChI

InChI=1S/C26H33N5O5S2/c1-18-7-5-12-30-23(18)28-22(27-9-6-10-29-13-15-36-16-14-29)19(24(30)34)17-20-25(35)31(26(37)38-20)11-4-2-3-8-21(32)33/h5,7,12,17,27H,2-4,6,8-11,13-16H2,1H3,(H,32,33)

InChI Key

XHYPFHHAWFJRQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03933102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.71

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.291

Distribution Coefficient, logD

-1.537

Water Solubility, LogSw

-1.78

Polar Surface Area

90.572

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

5756-0249 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 5756-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5756-0249?
Check Price and Availability of 5756-0249, 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 5756-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5756-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5756-0249
  • 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 5756-0249 available by request