D337-1902 Screening compound: N~3~-[4-(tert-butyl)benzyl]-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methoxyphenyl)-3-isoxazolecarboxamide

D337-1902 Screening compound: N~3~-[4-(tert-butyl)benzyl]-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methoxyphenyl)-3-isoxazolecarboxamide
D337-1902 Screening compound: N~3~-[4-(tert-butyl)benzyl]-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methoxyphenyl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-1902
N~3~-[4-(tert-butyl)benzyl]-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methoxyphenyl)-3-isoxazolecarboxamide

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

D337-1902

Molecular Formula

C26H30N2O5S (C26 H30 N2 O5 S)

Compound Name

N~3~-[4-(tert-butyl)benzyl]-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methoxyphenyl)-3-isoxazolecarboxamide

IUPAC name

N-[(4-tert-butylphenyl)methyl]-N-(11-dioxo-1lambda6-thiolan-3-yl)-5-(4-methoxyphenyl)-12-oxazole-3-carboxamide

SMILES

CC(C)(C)c1ccc(CN(C(CC2)CS2(=O)=O)C(c2noc(-c(cc3)ccc3OC)c2)=O)cc1

InChI

InChI=1S/C26H30N2O5S/c1-26(2,3)20-9-5-18(6-10-20)16-28(21-13-14-34(30,31)17-21)25(29)23-15-24(33-27-23)19-7-11-22(32-4)12-8-19/h5-12,15,21H,13-14,16-17H2,1-4H3/t21-/m1/s1

InChI Key

FGLMWSCYEOPXCR-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD12920923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.523

Distribution Coefficient, logD

4.523

Water Solubility, LogSw

-4.36

Polar Surface Area

72.939

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-7.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with D337-1902 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D337-1902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-1902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-1902
  • 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 D337-1902 available by request