4299-0656 Screening compound: (5Z)-1-(3-bromophenyl)-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

4299-0656 Screening compound: (5Z)-1-(3-bromophenyl)-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
4299-0656 Screening compound: (5Z)-1-(3-bromophenyl)-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4299-0656
(5Z)-1-(3-bromophenyl)-5-[(5-methylfuran-2-yl)methylidene]-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

4299-0656

Molecular Formula

C16H11BrN2O3S (C16 H11 BrN2 O3 S)

Compound Name

(5Z)-1-(3-bromophenyl)-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

(5Z)-1-(3-bromophenyl)-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-13-diazinane-46-dione

SMILES

Cc1ccc(/C=C(/C(NC(N2c3cccc(Br)c3)=S)=O)\C2=O)o1

InChI

InChI=1S/C16H11BrN2O3S/c1-9-5-6-12(22-9)8-13-14(20)18-16(23)19(15(13)21)11-4-2-3-10(17)7-11/h2-8H,1H3,(H,18,20,23)

InChI Key

XWUQIQNKSGGIPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02629109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.330

Distribution Coefficient, logD

2.201

Water Solubility, LogSw

-3.64

Polar Surface Area

47.491

Acid Dissociation Constant (pKa)

6.30

Base Dissociation Constant (pKb)

-9.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

4299-0656 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4299-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4299-0656?
Check Price and Availability of 4299-0656, 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 4299-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4299-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4299-0656
  • 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 4299-0656 available by request