2083-1849 Screening compound: (4E)-1-(3-bromophenyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]pyrazolidine-3,5-dione

2083-1849 Screening compound: (4E)-1-(3-bromophenyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]pyrazolidine-3,5-dione
2083-1849 Screening compound: (4E)-1-(3-bromophenyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]pyrazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2083-1849
(4E)-1-(3-bromophenyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]pyrazolidine-3,5-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

2083-1849

Molecular Formula

C18H14BrN3O6 (C18 H14 BrN3 O6)

Compound Name

(4E)-1-(3-bromophenyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]pyrazolidine-3,5-dione

IUPAC name

(4E)-1-(3-bromophenyl)-4-[(45-dimethoxy-2-nitrophenyl)methylidene]pyrazolidine-35-dione

SMILES

COc(c(OC)c1)cc(/C=C(\C(NN2c3cccc(Br)c3)=O)/C2=O)c1[N+]([O-])=O

InChI

InChI=1S/C18H14BrN3O6/c1-27-15-7-10(14(22(25)26)9-16(15)28-2)6-13-17(23)20-21(18(13)24)12-5-3-4-11(19)8-12/h3-9H,1-2H3,(H,20,23)

InChI Key

DJUOFPDRGIBWCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01158239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.23

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.550

Distribution Coefficient, logD

2.099

Water Solubility, LogSw

-2.95

Polar Surface Area

91.101

Acid Dissociation Constant (pKa)

7.14

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 2083-1849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2083-1849?
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What is the minimum amount of 2083-1849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2083-1849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2083-1849
  • 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 2083-1849 available by request