3699-0361 Screening compound: (5E)-5-{[4-bromo-5-(morpholin-4-yl)furan-2-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

3699-0361 Screening compound: (5E)-5-{[4-bromo-5-(morpholin-4-yl)furan-2-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
3699-0361 Screening compound: (5E)-5-{[4-bromo-5-(morpholin-4-yl)furan-2-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3699-0361
(5E)-5-{[4-bromo-5-(morpholin-4-yl)furan-2-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

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

3699-0361

Molecular Formula

C19H16BrN3O4S (C19 H16 BrN3 O4 S)

Compound Name

(5E)-5-{[4-bromo-5-(morpholin-4-yl)furan-2-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

(5E)-5-{[4-bromo-5-(morpholin-4-yl)furan-2-yl]methylidene}-1-phenyl-2-sulfanylidene-13-diazinane-46-dione

SMILES

O=C(/C(/C(N1c2ccccc2)=O)=C\c2cc(Br)c(N3CCOCC3)o2)NC1=S

InChI

InChI=1S/C19H16BrN3O4S/c20-15-11-13(27-18(15)22-6-8-26-9-7-22)10-14-16(24)21-19(28)23(17(14)25)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,21,24,28)

InChI Key

RZRITOFOVQURNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.427

Distribution Coefficient, logD

2.040

Water Solubility, LogSw

-2.98

Polar Surface Area

59.971

Acid Dissociation Constant (pKa)

7.24

Base Dissociation Constant (pKb)

-6.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

3699-0361 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 3699-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3699-0361?
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What is the minimum amount of 3699-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3699-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3699-0361
  • 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 3699-0361 available by request