D103-1233 Screening compound: N~2~-[4-(tert-butyl)benzyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide

D103-1233 Screening compound: N~2~-[4-(tert-butyl)benzyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide
D103-1233 Screening compound: N~2~-[4-(tert-butyl)benzyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-1233
N~2~-[4-(tert-butyl)benzyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-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

D103-1233

Molecular Formula

C26H29NO5S (C26 H29 NO5 S)

Compound Name

N~2~-[4-(tert-butyl)benzyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide

IUPAC name

N-[(4-tert-butylphenyl)methyl]-N-(11-dioxo-1lambda6-thiolan-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide

SMILES

CC(C)(C)c1ccc(CN(C(CC2)CS2(=O)=O)C(C(Oc2c3ccc(C)c2)=CC3=O)=O)cc1

InChI

InChI=1S/C26H29NO5S/c1-17-5-10-21-22(28)14-24(32-23(21)13-17)25(29)27(20-11-12-33(30,31)16-20)15-18-6-8-19(9-7-18)26(2,3)4/h5-10,13-14,20H,11-12,15-16H2,1-4H3/t20-/m1/s1

InChI Key

MUXJAGSYVFMAIA-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD07425970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.426

Distribution Coefficient, logD

4.426

Water Solubility, LogSw

-4.32

Polar Surface Area

65.678

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

D103-1233 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D103-1233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-1233?
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What is the minimum amount of D103-1233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-1233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-1233
  • 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 D103-1233 available by request