2784-0087 Screening compound: (5Z)-5-({5-bromo-2-[(4-nitrophenyl)methoxy]phenyl}methylidene)-2-sulfanylideneimidazolidin-4-one

2784-0087 Screening compound: (5Z)-5-({5-bromo-2-[(4-nitrophenyl)methoxy]phenyl}methylidene)-2-sulfanylideneimidazolidin-4-one
2784-0087 Screening compound: (5Z)-5-({5-bromo-2-[(4-nitrophenyl)methoxy]phenyl}methylidene)-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2784-0087
(5Z)-5-({5-bromo-2-[(4-nitrophenyl)methoxy]phenyl}methylidene)-2-sulfanylideneimidazolidin-4-one

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

2784-0087

Molecular Formula

C17H12BrN3O4S (C17 H12 BrN3 O4 S)

Compound Name

(5Z)-5-({5-bromo-2-[(4-nitrophenyl)methoxy]phenyl}methylidene)-2-sulfanylideneimidazolidin-4-one

IUPAC name

(5Z)-5-({5-bromo-2-[(4-nitrophenyl)methoxy]phenyl}methylidene)-2-sulfanylideneimidazolidin-4-one

SMILES

[O-][N+](c1ccc(COc(cc2)c(/C=C(/C(N3)=O)\NC3=S)cc2Br)cc1)=O

InChI

InChI=1S/C17H12BrN3O4S/c18-12-3-6-15(11(7-12)8-14-16(22)20-17(26)19-14)25-9-10-1-4-13(5-2-10)21(23)24/h1-8H,9H2,(H2,19,20,22,26)

InChI Key

MBDVSOXLTWOOHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02627793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.27

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.180

Distribution Coefficient, logD

4.148

Water Solubility, LogSw

-4.56

Polar Surface Area

76.990

Acid Dissociation Constant (pKa)

8.52

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

2784-0087 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2784-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2784-0087?
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What is the minimum amount of 2784-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2784-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2784-0087
  • 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 2784-0087 available by request