D628-0026 Screening compound: 2-[1-(3,5-dimethoxybenzoyl)pyrrolidin-2-yl]-1,3-benzothiazole

D628-0026 Screening compound: 2-[1-(3,5-dimethoxybenzoyl)pyrrolidin-2-yl]-1,3-benzothiazole
D628-0026 Screening compound: 2-[1-(3,5-dimethoxybenzoyl)pyrrolidin-2-yl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D628-0026
2-[1-(3,5-dimethoxybenzoyl)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

D628-0026

Molecular Formula

C20H20N2O3S (C20 H20 N2 O3 S)

Compound Name

2-[1-(3,5-dimethoxybenzoyl)pyrrolidin-2-yl]-1,3-benzothiazole

IUPAC name

2-[1-(35-dimethoxybenzoyl)pyrrolidin-2-yl]-13-benzothiazole

SMILES

COc1cc(C(N(CCC2)C2c2nc(cccc3)c3s2)=O)cc(OC)c1

InChI

InChI=1S/C20H20N2O3S/c1-24-14-10-13(11-15(12-14)25-2)20(23)22-9-5-7-17(22)19-21-16-6-3-4-8-18(16)26-19/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3/t17-/m0/s1

InChI Key

DAVLRHPMCYKSFE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD11714350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.987

Distribution Coefficient, logD

3.987

Water Solubility, LogSw

-4.13

Polar Surface Area

41.483

Acid Dissociation Constant (pKa)

26.97

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

D628-0026 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D628-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D628-0026?
Check Price and Availability of D628-0026, 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 D628-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D628-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D628-0026
  • 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 D628-0026 available by request