D628-0135 Screening compound: 4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4-methylphenyl)-4-oxobutanamide

D628-0135 Screening compound: 4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4-methylphenyl)-4-oxobutanamide
D628-0135 Screening compound: 4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4-methylphenyl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D628-0135
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4-methylphenyl)-4-oxobutanamide

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

D628-0135

Molecular Formula

C22H23N3O2S (C22 H23 N3 O2 S)

Compound Name

4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4-methylphenyl)-4-oxobutanamide

IUPAC name

4-[2-(13-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4-methylphenyl)-4-oxobutanamide

SMILES

Cc(cc1)ccc1NC(CCC(N(CCC1)C1c1nc(cccc2)c2s1)=O)=O

InChI

InChI=1S/C22H23N3O2S/c1-15-8-10-16(11-9-15)23-20(26)12-13-21(27)25-14-4-6-18(25)22-24-17-5-2-3-7-19(17)28-22/h2-3,5,7-11,18H,4,6,12-14H2,1H3,(H,23,26)/t18-/m0/s1

InChI Key

MUJPZGBJOCDXMN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15142295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.672

Distribution Coefficient, logD

3.672

Water Solubility, LogSw

-3.81

Polar Surface Area

49.018

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

D628-0135 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D628-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D628-0135?
Check Price and Availability of D628-0135, 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 D628-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D628-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D628-0135
  • 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 D628-0135 available by request