E772-0168 Screening compound: N-{3-[BENZYL(METHYL)AMINO]PROPYL}-4-({2-OXO-1H,2H,3H-PYRIDO[2,3-B][1,4]THIAZIN-1-YL}METHYL)BENZAMIDE

E772-0168 Screening compound: N-{3-[BENZYL(METHYL)AMINO]PROPYL}-4-({2-OXO-1H,2H,3H-PYRIDO[2,3-B][1,4]THIAZIN-1-YL}METHYL)BENZAMIDE
E772-0168 Screening compound: N-{3-[BENZYL(METHYL)AMINO]PROPYL}-4-({2-OXO-1H,2H,3H-PYRIDO[2,3-B][1,4]THIAZIN-1-YL}METHYL)BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E772-0168
N-{3-[BENZYL(METHYL)AMINO]PROPYL}-4-({2-OXO-1H,2H,3H-PYRIDO[2,3-B][1,4]THIAZIN-1-YL}METHYL)BENZAMIDE

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

E772-0168

Molecular Formula

C26H28N4O2S (C26 H28 N4 O2 S)

Compound Name

N-{3-[BENZYL(METHYL)AMINO]PROPYL}-4-({2-OXO-1H,2H,3H-PYRIDO[2,3-B][1,4]THIAZIN-1-YL}METHYL)BENZAMIDE

IUPAC name

n/a

SMILES

CN(CCCNC(c1ccc(CN2c3cccnc3SCC2=O)cc1)=O)Cc1ccccc1

InChI

InChI=1S/C26H28N4O2S/c1-29(17-20-7-3-2-4-8-20)16-6-15-27-25(32)22-12-10-21(11-13-22)18-30-23-9-5-14-28-26(23)33-19-24(30)31/h2-5,7-14H,6,15-19H2,1H3,(H,27,32)

InChI Key

SIILNCHRCGHAPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.889

Distribution Coefficient, logD

1.448

Water Solubility, LogSw

-3.43

Polar Surface Area

55.020

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with E772-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E772-0168?
Check Price and Availability of E772-0168, 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 E772-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E772-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E772-0168
  • 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 E772-0168 available by request