E862-0470 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-3-({6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carbonyl}amino)propanamide

E862-0470 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-3-({6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carbonyl}amino)propanamide
E862-0470 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-3-({6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carbonyl}amino)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E862-0470
N-[(5-bromo-2-methoxyphenyl)methyl]-3-({6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carbonyl}amino)propanamide

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

E862-0470

Molecular Formula

C21H25BrN4O3S (C21 H25 BrN4 O3 S)

Compound Name

N-[(5-bromo-2-methoxyphenyl)methyl]-3-({6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carbonyl}amino)propanamide

IUPAC name

N-[(5-bromo-2-methoxyphenyl)methyl]-3-({68-dimethyl-1H2H3H-pyrido[23-b][14]thiazine-1-carbonyl}amino)propanamide

SMILES

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

InChI

InChI=1S/C21H25BrN4O3S/c1-13-10-14(2)25-20-19(13)26(8-9-30-20)21(28)23-7-6-18(27)24-12-15-11-16(22)4-5-17(15)29-3/h4-5,10-11H,6-9,12H2,1-3H3,(H,23,28)(H,24,27)

InChI Key

CXMKGEGEXPNQDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.730

Distribution Coefficient, logD

3.727

Water Solubility, LogSw

-3.90

Polar Surface Area

69.222

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with E862-0470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E862-0470?
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What is the minimum amount of E862-0470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E862-0470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E862-0470
  • 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 E862-0470 available by request