D487-0176 Screening compound: 3,4,5-trimethoxy-N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}benzamide

D487-0176 Screening compound: 3,4,5-trimethoxy-N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}benzamide
D487-0176 Screening compound: 3,4,5-trimethoxy-N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D487-0176
3,4,5-trimethoxy-N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-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

D487-0176

Molecular Formula

C25H25N3O6S (C25 H25 N3 O6 S)

Compound Name

3,4,5-trimethoxy-N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}benzamide

IUPAC name

345-trimethoxy-N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-34-dihydro-2H-14-benzoxazin-6-yl]-13-thiazol-2-yl}benzamide

SMILES

Cc1c(-c(cc2)cc(N3CC=C)c2OCC3=O)nc(NC(c(cc2OC)cc(OC)c2OC)=O)s1

InChI

InChI=1S/C25H25N3O6S/c1-6-9-28-17-10-15(7-8-18(17)34-13-21(28)29)22-14(2)35-25(26-22)27-24(30)16-11-19(31-3)23(33-5)20(12-16)32-4/h6-8,10-12H,1,9,13H2,2-5H3,(H,26,27,30)

InChI Key

YGHOMHQAEQPNQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.56

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

3.902

Distribution Coefficient, logD

3.902

Water Solubility, LogSw

-4.15

Polar Surface Area

80.933

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

D487-0176 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 D487-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0176?
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What is the minimum amount of D487-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0176
  • 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 D487-0176 available by request