D487-0006 Screening compound: 4-(dimethylsulfamoyl)-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide

D487-0006 Screening compound: 4-(dimethylsulfamoyl)-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
D487-0006 Screening compound: 4-(dimethylsulfamoyl)-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D487-0006
4-(dimethylsulfamoyl)-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]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

D487-0006

Molecular Formula

C20H18N4O5S2 (C20 H18 N4 O5 S2)

Compound Name

4-(dimethylsulfamoyl)-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide

IUPAC name

4-(dimethylsulfamoyl)-N-[4-(3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)-13-thiazol-2-yl]benzamide

SMILES

CN(C)S(c(cc1)ccc1C(Nc1nc(-c(cc2)cc(N3)c2OCC3=O)cs1)=O)(=O)=O

InChI

InChI=1S/C20H18N4O5S2/c1-24(2)31(27,28)14-6-3-12(4-7-14)19(26)23-20-22-16(11-30-20)13-5-8-17-15(9-13)21-18(25)10-29-17/h3-9,11H,10H2,1-2H3,(H,21,25)(H,22,23,26)

InChI Key

OVZCTQVCBRFGEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.845

Distribution Coefficient, logD

2.843

Water Solubility, LogSw

-3.55

Polar Surface Area

100.038

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D487-0006 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D487-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0006?
Check Price and Availability of D487-0006, 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 D487-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0006
  • 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 D487-0006 available by request