D715-0186 Screening compound: 3-{[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino}propanoic acid

D715-0186 Screening compound: 3-{[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino}propanoic acid
D715-0186 Screening compound: 3-{[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-0186
3-{[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino}propanoic acid

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

D715-0186

Molecular Formula

C16H19N3O3S (C16 H19 N3 O3 S)

Compound Name

3-{[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino}propanoic acid

IUPAC name

3-{[4-(13-benzothiazol-2-yl)piperidine-1-carbonyl]amino}propanoic acid

SMILES

OC(CCNC(N(CC1)CCC1c1nc(cccc2)c2s1)=O)=O

InChI

InChI=1S/C16H19N3O3S/c20-14(21)5-8-17-16(22)19-9-6-11(7-10-19)15-18-12-3-1-2-4-13(12)23-15/h1-4,11H,5-10H2,(H,17,22)(H,20,21)

InChI Key

UFBRIDPVHSNLDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09844856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.840

Distribution Coefficient, logD

-0.855

Water Solubility, LogSw

-2.20

Polar Surface Area

64.975

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

D715-0186 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Others
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D715-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-0186?
Check Price and Availability of D715-0186, 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 D715-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-0186
  • 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 D715-0186 available by request