D487-0221 Screening compound: 3,4,5-trimethoxy-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide

D487-0221 Screening compound: 3,4,5-trimethoxy-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
D487-0221 Screening compound: 3,4,5-trimethoxy-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D487-0221
3,4,5-trimethoxy-N-[4-(3-oxo-4-propyl-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

D487-0221

Molecular Formula

C24H25N3O6S (C24 H25 N3 O6 S)

Compound Name

3,4,5-trimethoxy-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide

IUPAC name

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

SMILES

CCCN1c(cc(cc2)-c3csc(NC(c(cc4OC)cc(OC)c4OC)=O)n3)c2OCC1=O

InChI

InChI=1S/C24H25N3O6S/c1-5-8-27-17-9-14(6-7-18(17)33-12-21(27)28)16-13-34-24(25-16)26-23(29)15-10-19(30-2)22(32-4)20(11-15)31-3/h6-7,9-11,13H,5,8,12H2,1-4H3,(H,25,26,29)

InChI Key

LZGYTCYJKZYJDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.016

Distribution Coefficient, logD

4.016

Water Solubility, LogSw

-4.18

Polar Surface Area

80.162

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D487-0221 in Drug Discovery

Included in Screening Libraries

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 D487-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0221?
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What is the minimum amount of D487-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0221
  • 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 D487-0221 available by request