3448-6881 Screening compound: N-(1,3-benzothiazol-2-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide

3448-6881 Screening compound: N-(1,3-benzothiazol-2-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
3448-6881 Screening compound: N-(1,3-benzothiazol-2-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-6881
N-(1,3-benzothiazol-2-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide

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

3448-6881

Molecular Formula

C18H14BrN3O2S (C18 H14 BrN3 O2 S)

Compound Name

N-(1,3-benzothiazol-2-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-(13-benzothiazol-2-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

O=C(C(CC1=O)CN1c(cc1)ccc1Br)Nc1nc(cccc2)c2s1

InChI

InChI=1S/C18H14BrN3O2S/c19-12-5-7-13(8-6-12)22-10-11(9-16(22)23)17(24)21-18-20-14-3-1-2-4-15(14)25-18/h1-8,11H,9-10H2,(H,20,21,24)/t11-/m1/s1

InChI Key

AGLPRANUXCSKTJ-LLVKDONJSA-N

MDL Number (MFCD)

MFCD02153077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.040

Distribution Coefficient, logD

4.039

Water Solubility, LogSw

-4.19

Polar Surface Area

49.841

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

3448-6881 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3448-6881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-6881?
Check Price and Availability of 3448-6881, 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 3448-6881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-6881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-6881
  • 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 3448-6881 available by request