T157-0077 Screening compound: 3-{5H,6H,7H-cyclopenta[b]pyridin-3-yl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

T157-0077 Screening compound: 3-{5H,6H,7H-cyclopenta[b]pyridin-3-yl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
T157-0077 Screening compound: 3-{5H,6H,7H-cyclopenta[b]pyridin-3-yl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound T157-0077
3-{5H,6H,7H-cyclopenta[b]pyridin-3-yl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

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

T157-0077

Molecular Formula

C17H17N3O3 (C17 H17 N3 O3)

Compound Name

3-{5H,6H,7H-cyclopenta[b]pyridin-3-yl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

IUPAC name

3-{5H6H7H-cyclopenta[b]pyridin-3-yl}-1-(23-dihydro-14-benzodioxin-6-yl)urea

SMILES

O=C(Nc(cc1)cc2c1OCCO2)Nc1cnc(CCC2)c2c1

InChI

InChI=1S/C17H17N3O3/c21-17(20-13-8-11-2-1-3-14(11)18-10-13)19-12-4-5-15-16(9-12)23-7-6-22-15/h4-5,8-10H,1-3,6-7H2,(H2,19,20,21)

InChI Key

JVWWRBCUEBWJCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31995395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.388

Distribution Coefficient, logD

2.387

Water Solubility, LogSw

-2.93

Polar Surface Area

59.289

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

T157-0077 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

CORONAVIRUS Library (20774 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T157-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T157-0077?
Check Price and Availability of T157-0077, 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 T157-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T157-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T157-0077
  • 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 T157-0077 available by request