4912-0511 Screening compound: N-allyl-N'-(3-methyl-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)thiourea

4912-0511 Screening compound: N-allyl-N'-(3-methyl-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)thiourea
4912-0511 Screening compound: N-allyl-N'-(3-methyl-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4912-0511
N-allyl-N'-(3-methyl-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)thiourea

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

4912-0511

Molecular Formula

C9H16N2O2S2 (C9 H16 N2 O2 S2)

Compound Name

N-allyl-N'-(3-methyl-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)thiourea

IUPAC name

1-(3-methyl-11-dioxo-1lambda6-thiolan-3-yl)-3-(prop-2-en-1-yl)thiourea

SMILES

CC(CC1)(CS1(=O)=O)NC(NCC=C)=S

InChI

InChI=1S/C9H16N2O2S2/c1-3-5-10-8(14)11-9(2)4-6-15(12,13)7-9/h3H,1,4-7H2,2H3,(H2,10,11,14)/t9-/m0/s1

InChI Key

UHROJAJPLIKRPJ-VIFPVBQESA-N

MDL Number (MFCD)

MFCD03038504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.162

Distribution Coefficient, logD

0.162

Water Solubility, LogSw

-1.85

Polar Surface Area

49.830

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with 4912-0511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4912-0511?
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What is the minimum amount of 4912-0511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4912-0511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4912-0511
  • 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 4912-0511 available by request