F510-0502 Screening compound: 4-{[(2,5-dimethoxyphenyl)carbamoyl]methyl}-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

F510-0502 Screening compound: 4-{[(2,5-dimethoxyphenyl)carbamoyl]methyl}-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
F510-0502 Screening compound: 4-{[(2,5-dimethoxyphenyl)carbamoyl]methyl}-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F510-0502
4-{[(2,5-dimethoxyphenyl)carbamoyl]methyl}-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-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

F510-0502

Molecular Formula

C23H27N3O5S (C23 H27 N3 O5 S)

Compound Name

4-{[(2,5-dimethoxyphenyl)carbamoyl]methyl}-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

4-{[(25-dimethoxyphenyl)carbamoyl]methyl}-NN-diethyl-3-oxo-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CCN(CC)C(c(cc1)cc(N2CC(Nc(cc(cc3)OC)c3OC)=O)c1SCC2=O)=O

InChI

InChI=1S/C23H27N3O5S/c1-5-25(6-2)23(29)15-7-10-20-18(11-15)26(22(28)14-32-20)13-21(27)24-17-12-16(30-3)8-9-19(17)31-4/h7-12H,5-6,13-14H2,1-4H3,(H,24,27)

InChI Key

GWRFABWPXFAYKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27170489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.041

Distribution Coefficient, logD

2.040

Water Solubility, LogSw

-2.95

Polar Surface Area

69.177

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

F510-0502 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 F510-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F510-0502?
Check Price and Availability of F510-0502, 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 F510-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F510-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F510-0502
  • 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 F510-0502 available by request