3685-1022 Screening compound: (5E)-1-(3-bromophenyl)-5-{[5-(dimethylamino)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

3685-1022 Screening compound: (5E)-1-(3-bromophenyl)-5-{[5-(dimethylamino)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
3685-1022 Screening compound: (5E)-1-(3-bromophenyl)-5-{[5-(dimethylamino)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3685-1022
(5E)-1-(3-bromophenyl)-5-{[5-(dimethylamino)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

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

3685-1022

Molecular Formula

C17H14BrN3O4 (C17 H14 BrN3 O4)

Compound Name

(5E)-1-(3-bromophenyl)-5-{[5-(dimethylamino)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-(3-bromophenyl)-5-{[5-(dimethylamino)furan-2-yl]methylidene}-13-diazinane-246-trione

SMILES

CN(C)c1ccc(/C=C(\C(NC(N2c3cccc(Br)c3)=O)=O)/C2=O)o1

InChI

InChI=1S/C17H14BrN3O4/c1-20(2)14-7-6-12(25-14)9-13-15(22)19-17(24)21(16(13)23)11-5-3-4-10(18)8-11/h3-9H,1-2H3,(H,19,22,24)

InChI Key

PQUWTLKTCRGHCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.395

Distribution Coefficient, logD

1.387

Water Solubility, LogSw

-3.06

Polar Surface Area

64.645

Acid Dissociation Constant (pKa)

6.44

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 3685-1022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3685-1022?
Check Price and Availability of 3685-1022, 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 3685-1022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3685-1022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3685-1022
  • 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 3685-1022 available by request