E866-0503 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-4-{6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-4-oxobutanamide

E866-0503 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-4-{6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-4-oxobutanamide
E866-0503 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-4-{6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E866-0503
N-[(5-bromo-2-methoxyphenyl)methyl]-4-{6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-4-oxobutanamide

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

E866-0503

Molecular Formula

C21H24BrN3O3S (C21 H24 BrN3 O3 S)

Compound Name

N-[(5-bromo-2-methoxyphenyl)methyl]-4-{6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}-4-oxobutanamide

IUPAC name

N-[(5-bromo-2-methoxyphenyl)methyl]-4-{68-dimethyl-1H2H3H-pyrido[23-b][14]thiazin-1-yl}-4-oxobutanamide

SMILES

Cc1cc(C)nc(SCC2)c1N2C(CCC(NCc(cc(cc1)Br)c1OC)=O)=O

InChI

InChI=1S/C21H24BrN3O3S/c1-13-10-14(2)24-21-20(13)25(8-9-29-21)19(27)7-6-18(26)23-12-15-11-16(22)4-5-17(15)28-3/h4-5,10-11H,6-9,12H2,1-3H3,(H,23,26)

InChI Key

VQSSKQVDZGEAEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.579

Distribution Coefficient, logD

3.578

Water Solubility, LogSw

-3.74

Polar Surface Area

58.710

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

E866-0503 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E866-0503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E866-0503?
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What is the minimum amount of E866-0503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E866-0503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E866-0503
  • 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 E866-0503 available by request