G658-0643 Screening compound: N-[(3-bromophenyl)methyl]-2-(2-methyl-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetamide

G658-0643 Screening compound: N-[(3-bromophenyl)methyl]-2-(2-methyl-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetamide
G658-0643 Screening compound: N-[(3-bromophenyl)methyl]-2-(2-methyl-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G658-0643
N-[(3-bromophenyl)methyl]-2-(2-methyl-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetamide

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

G658-0643

Molecular Formula

C18H19BrN2OS (C18 H19 BrN2 OS)

Compound Name

N-[(3-bromophenyl)methyl]-2-(2-methyl-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetamide

IUPAC name

N-[(3-bromophenyl)methyl]-2-(2-methyl-34-dihydro-2H-14-benzothiazin-4-yl)acetamide

SMILES

CC1Sc(cccc2)c2N(CC(NCc2cccc(Br)c2)=O)C1

InChI

InChI=1S/C18H19BrN2OS/c1-13-11-21(16-7-2-3-8-17(16)23-13)12-18(22)20-10-14-5-4-6-15(19)9-14/h2-9,13H,10-12H2,1H3,(H,20,22)/t13-/m1/s1

InChI Key

XPKNMFZAFGIDKM-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD15026409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.065

Distribution Coefficient, logD

4.065

Water Solubility, LogSw

-4.09

Polar Surface Area

27.206

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

G658-0643 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G658-0643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G658-0643?
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What is the minimum amount of G658-0643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G658-0643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G658-0643
  • 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 G658-0643 available by request