2777-0633 Screening compound: 4,7-bis({[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}methyl)-1,3-dioxepane-5,6-diol

2777-0633 Screening compound: 4,7-bis({[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}methyl)-1,3-dioxepane-5,6-diol
2777-0633 Screening compound: 4,7-bis({[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}methyl)-1,3-dioxepane-5,6-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2777-0633
4,7-bis({[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}methyl)-1,3-dioxepane-5,6-diol

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

2777-0633

Molecular Formula

C19H28N6O8S2 (C19 H28 N6 O8 S2)

Compound Name

4,7-bis({[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}methyl)-1,3-dioxepane-5,6-diol

IUPAC name

(5R6S)-47-bis({[4-(morpholin-4-yl)-125-thiadiazol-3-yl]oxy}methyl)-13-dioxepane-56-diol

SMILES

O[C@H](C(COc1nsnc1N1CCOCC1)OCOC1COc2nsnc2N2CCOCC2)[C@H]1O

InChI

InChI=1S/C19H28N6O8S2/c26-14-12(9-30-18-16(20-34-22-18)24-1-5-28-6-2-24)32-11-33-13(15(14)27)10-31-19-17(21-35-23-19)25-3-7-29-8-4-25/h12-15,26-27H,1-11H2/t12?,13?,14-,15+

InChI Key

MDHXOQUTRDJFLS-ZMYVRHLSSA-N

MDL Number (MFCD)

MFCD01933011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.6

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

1.915

Distribution Coefficient, logD

1.915

Water Solubility, LogSw

-1.85

Polar Surface Area

129.651

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

78.90

2777-0633 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 2777-0633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2777-0633?
Check Price and Availability of 2777-0633, 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 2777-0633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2777-0633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2777-0633
  • 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 2777-0633 available by request