3679-1651 Screening compound: (5E)-1-(3-bromophenyl)-5-{[5-(pyrrolidin-1-yl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

3679-1651 Screening compound: (5E)-1-(3-bromophenyl)-5-{[5-(pyrrolidin-1-yl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
3679-1651 Screening compound: (5E)-1-(3-bromophenyl)-5-{[5-(pyrrolidin-1-yl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3679-1651
(5E)-1-(3-bromophenyl)-5-{[5-(pyrrolidin-1-yl)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

3679-1651

Molecular Formula

C19H16BrN3O4 (C19 H16 BrN3 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/C(N1c2cccc(Br)c2)=O)=C\c2ccc(N3CCCC3)o2)NC1=O

InChI

InChI=1S/C19H16BrN3O4/c20-12-4-3-5-13(10-12)23-18(25)15(17(24)21-19(23)26)11-14-6-7-16(27-14)22-8-1-2-9-22/h3-7,10-11H,1-2,8-9H2,(H,21,24,26)

InChI Key

PYCNWSIXOUYYTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.26

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

3.228

Distribution Coefficient, logD

2.221

Water Solubility, LogSw

-3.46

Polar Surface Area

65.658

Acid Dissociation Constant (pKa)

6.44

Base Dissociation Constant (pKb)

-4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 3679-1651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3679-1651?
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What is the minimum amount of 3679-1651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3679-1651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3679-1651
  • 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 3679-1651 available by request