3613-0032 Screening compound: 2-[(6-{[4,6-BIS(MORPHOLIN-4-YL)-1,3,5-TRIAZIN-2-YL]AMINO}-1,3-BENZOTHIAZOL-2-YL)SULFANYL]-N-[(FURAN-2-YL)METHYL]ACETAMIDE

3613-0032 Screening compound: 2-[(6-{[4,6-BIS(MORPHOLIN-4-YL)-1,3,5-TRIAZIN-2-YL]AMINO}-1,3-BENZOTHIAZOL-2-YL)SULFANYL]-N-[(FURAN-2-YL)METHYL]ACETAMIDE
3613-0032 Screening compound: 2-[(6-{[4,6-BIS(MORPHOLIN-4-YL)-1,3,5-TRIAZIN-2-YL]AMINO}-1,3-BENZOTHIAZOL-2-YL)SULFANYL]-N-[(FURAN-2-YL)METHYL]ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3613-0032
2-[(6-{[4,6-BIS(MORPHOLIN-4-YL)-1,3,5-TRIAZIN-2-YL]AMINO}-1,3-BENZOTHIAZOL-2-YL)SULFANYL]-N-[(FURAN-2-YL)METHYL]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

3613-0032

Molecular Formula

C25H28N8O4S2 (C25 H28 N8 O4 S2)

Compound Name

2-[(6-{[4,6-BIS(MORPHOLIN-4-YL)-1,3,5-TRIAZIN-2-YL]AMINO}-1,3-BENZOTHIAZOL-2-YL)SULFANYL]-N-[(FURAN-2-YL)METHYL]ACETAMIDE

IUPAC name

n/a

SMILES

O=C(CSc1nc(ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c2)c2s1)NCc1ccco1

InChI

InChI=1S/C25H28N8O4S2/c34-21(26-15-18-2-1-9-37-18)16-38-25-28-19-4-3-17(14-20(19)39-25)27-22-29-23(32-5-10-35-11-6-32)31-24(30-22)33-7-12-36-13-8-33/h1-4,9,14H,5-8,10-13,15-16H2,(H,26,34)(H,27,29,30,31)

InChI Key

BFQANTGWZCVHEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02625557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.175

Distribution Coefficient, logD

5.174

Water Solubility, LogSw

-5.32

Polar Surface Area

101.757

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

3613-0032 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3613-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3613-0032?
Check Price and Availability of 3613-0032, 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 3613-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3613-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3613-0032
  • 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 3613-0032 available by request