8015-0681 Screening compound: 2-(4,4-diphenyl-4H-3,1-benzoxazin-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine

8015-0681 Screening compound: 2-(4,4-diphenyl-4H-3,1-benzoxazin-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine
8015-0681 Screening compound: 2-(4,4-diphenyl-4H-3,1-benzoxazin-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0681
2-(4,4-diphenyl-4H-3,1-benzoxazin-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine

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

8015-0681

Molecular Formula

C29H23N3OS (C29 H23 N3 OS)

Compound Name

2-(4,4-diphenyl-4H-3,1-benzoxazin-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine

IUPAC name

2-(44-diphenyl-4H-31-benzoxazin-2-yl)-46-dimethylthieno[23-b]pyridin-3-amine

SMILES

Cc1c(c(N)c(C(OC2(c3ccccc3)c3ccccc3)=Nc3c2cccc3)s2)c2nc(C)c1

InChI

InChI=1S/C29H23N3OS/c1-18-17-19(2)31-28-24(18)25(30)26(34-28)27-32-23-16-10-9-15-22(23)29(33-27,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-17H,30H2,1-2H3

InChI Key

ZXIVARSSFVLCBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.580

Distribution Coefficient, logD

6.526

Water Solubility, LogSw

-6.12

Polar Surface Area

44.487

Acid Dissociation Constant (pKa)

19.34

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

8015-0681 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8015-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0681?
Check Price and Availability of 8015-0681, 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 8015-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0681
  • 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 8015-0681 available by request