3684-2449 Screening compound: (5E)-1-(4-bromophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione

3684-2449 Screening compound: (5E)-1-(4-bromophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
3684-2449 Screening compound: (5E)-1-(4-bromophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3684-2449
(5E)-1-(4-bromophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)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

3684-2449

Molecular Formula

C18H12BrN3O7 (C18 H12 BrN3 O7)

Compound Name

(5E)-1-(4-bromophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-(4-bromophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-13-diazinane-246-trione

SMILES

COc(cc(/C=C(\C(NC(N1c(cc2)ccc2Br)=O)=O)/C1=O)cc1[N+]([O-])=O)c1O

InChI

InChI=1S/C18H12BrN3O7/c1-29-14-8-9(7-13(15(14)23)22(27)28)6-12-16(24)20-18(26)21(17(12)25)11-4-2-10(19)3-5-11/h2-8,23H,1H3,(H,20,24,26)

InChI Key

BPJGKTITDIKVDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02213053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.21

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.763

Distribution Coefficient, logD

1.689

Water Solubility, LogSw

-3.30

Polar Surface Area

109.581

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

-6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

3684-2449 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3684-2449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3684-2449?
Check Price and Availability of 3684-2449, 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 3684-2449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3684-2449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3684-2449
  • 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 3684-2449 available by request