1488-0751 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N-diphenoxyphosphorothioylurea

1488-0751 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N-diphenoxyphosphorothioylurea
1488-0751 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N-diphenoxyphosphorothioylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1488-0751
N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N-diphenoxyphosphorothioylurea

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

1488-0751

Molecular Formula

C17H19N2O5PS2 (C17 H19 N2 O5 PS2)

Compound Name

N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N-diphenoxyphosphorothioylurea

IUPAC name

3-(11-dioxo-1lambda6-thiolan-3-yl)-1-[diphenoxy(sulfanylidene)-lambda5-phosphanyl]urea

SMILES

O=C(NC(CC1)CS1(=O)=O)NP(Oc1ccccc1)(Oc1ccccc1)=S

InChI

InChI=1S/C17H19N2O5PS2/c20-17(18-14-11-12-27(21,22)13-14)19-25(26,23-15-7-3-1-4-8-15)24-16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H2,18,19,20,26)/t14-/m1/s1

InChI Key

MICAGQFMDSSFTO-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01531483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.378

Distribution Coefficient, logD

2.378

Water Solubility, LogSw

-2.63

Polar Surface Area

79.123

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-5.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.53

1488-0751 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1488-0751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1488-0751?
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What is the minimum amount of 1488-0751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1488-0751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1488-0751
  • 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 1488-0751 available by request