E867-1080 Screening compound: N-[4-({[(thiophen-2-yl)methyl]carbamoyl}methyl)phenyl]-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

E867-1080 Screening compound: N-[4-({[(thiophen-2-yl)methyl]carbamoyl}methyl)phenyl]-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide
E867-1080 Screening compound: N-[4-({[(thiophen-2-yl)methyl]carbamoyl}methyl)phenyl]-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E867-1080
N-[4-({[(thiophen-2-yl)methyl]carbamoyl}methyl)phenyl]-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

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

E867-1080

Molecular Formula

C21H20N4O2S2 (C21 H20 N4 O2 S2)

Compound Name

N-[4-({[(thiophen-2-yl)methyl]carbamoyl}methyl)phenyl]-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

IUPAC name

N-[4-({[(thiophen-2-yl)methyl]carbamoyl}methyl)phenyl]-1H2H3H-pyrido[23-b][14]thiazine-1-carboxamide

SMILES

O=C(Cc(cc1)ccc1NC(N1c2cccnc2SCC1)=O)NCc1cccs1

InChI

InChI=1S/C21H20N4O2S2/c26-19(23-14-17-3-2-11-28-17)13-15-5-7-16(8-6-15)24-21(27)25-10-12-29-20-18(25)4-1-9-22-20/h1-9,11H,10,12-14H2,(H,23,26)(H,24,27)

InChI Key

URBUKYQGJWIHDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.906

Distribution Coefficient, logD

2.906

Water Solubility, LogSw

-3.48

Polar Surface Area

60.643

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E867-1080 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E867-1080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E867-1080?
Check Price and Availability of E867-1080, 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 E867-1080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E867-1080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E867-1080
  • 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 E867-1080 available by request