C059-0285 Screening compound: N-[(2Z)-6-bromo-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-4-(pyrrolidine-1-sulfonyl)benzamide

C059-0285 Screening compound: N-[(2Z)-6-bromo-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-4-(pyrrolidine-1-sulfonyl)benzamide
C059-0285 Screening compound: N-[(2Z)-6-bromo-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-4-(pyrrolidine-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C059-0285
N-[(2Z)-6-bromo-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-4-(pyrrolidine-1-sulfonyl)benzamide

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

C059-0285

Molecular Formula

C20H20BrN3O3S2 (C20 H20 BrN3 O3 S2)

Compound Name

N-[(2Z)-6-bromo-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-4-(pyrrolidine-1-sulfonyl)benzamide

IUPAC name

N-[(2Z)-6-bromo-3-ethyl-23-dihydro-13-benzothiazol-2-ylidene]-4-(pyrrolidine-1-sulfonyl)benzamide

SMILES

CCN(c(ccc(Br)c1)c1S1)/C1=N/C(c(cc1)ccc1S(N1CCCC1)(=O)=O)=O

InChI

InChI=1S/C20H20BrN3O3S2/c1-2-24-17-10-7-15(21)13-18(17)28-20(24)22-19(25)14-5-8-16(9-6-14)29(26,27)23-11-3-4-12-23/h5-10,13H,2-4,11-12H2,1H3

InChI Key

PYLZZUKEROSVGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.177

Distribution Coefficient, logD

4.177

Water Solubility, LogSw

-4.18

Polar Surface Area

57.332

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C059-0285 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C059-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C059-0285?
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What is the minimum amount of C059-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C059-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C059-0285
  • 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 C059-0285 available by request