D628-0016 Screening compound: 2-[1-(4-methylbenzoyl)pyrrolidin-2-yl]-1,3-benzothiazole

D628-0016 Screening compound: 2-[1-(4-methylbenzoyl)pyrrolidin-2-yl]-1,3-benzothiazole
D628-0016 Screening compound: 2-[1-(4-methylbenzoyl)pyrrolidin-2-yl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D628-0016
2-[1-(4-methylbenzoyl)pyrrolidin-2-yl]-1,3-benzothiazole

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

D628-0016

Molecular Formula

C19H18N2OS (C19 H18 N2 OS)

Compound Name

2-[1-(4-methylbenzoyl)pyrrolidin-2-yl]-1,3-benzothiazole

IUPAC name

2-[1-(4-methylbenzoyl)pyrrolidin-2-yl]-13-benzothiazole

SMILES

Cc(cc1)ccc1C(N(CCC1)C1c1nc(cccc2)c2s1)=O

InChI

InChI=1S/C19H18N2OS/c1-13-8-10-14(11-9-13)19(22)21-12-4-6-16(21)18-20-15-5-2-3-7-17(15)23-18/h2-3,5,7-11,16H,4,6,12H2,1H3/t16-/m0/s1

InChI Key

VFAXFPREQSHFAS-INIZCTEOSA-N

MDL Number (MFCD)

MFCD12914212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.211

Distribution Coefficient, logD

4.211

Water Solubility, LogSw

-4.19

Polar Surface Area

26.396

Acid Dissociation Constant (pKa)

26.97

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

D628-0016 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
Mechanism of action:
  • Epigenetic
  • PPI modulators
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D628-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D628-0016?
Check Price and Availability of D628-0016, 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 D628-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D628-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D628-0016
  • 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 D628-0016 available by request