4912-0438 Screening compound: N-(2-hydroxyethyl)-N'-(3-methyl-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)thiourea

4912-0438 Screening compound: N-(2-hydroxyethyl)-N'-(3-methyl-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)thiourea
4912-0438 Screening compound: N-(2-hydroxyethyl)-N'-(3-methyl-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4912-0438
N-(2-hydroxyethyl)-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

4912-0438

Molecular Formula

C8H16N2O3S2 (C8 H16 N2 O3 S2)

Compound Name

N-(2-hydroxyethyl)-N'-(3-methyl-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)thiourea

IUPAC name

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

SMILES

CC(CC1)(CS1(=O)=O)NC(NCCO)=S

InChI

InChI=1S/C8H16N2O3S2/c1-8(2-5-15(12,13)6-8)10-7(14)9-3-4-11/h11H,2-6H2,1H3,(H2,9,10,14)/t8-/m0/s1

InChI Key

SACVKLIHOSVAEB-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD03038471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.992

Distribution Coefficient, logD

-0.992

Water Solubility, LogSw

-1.13

Polar Surface Area

66.486

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

87.50

4912-0438 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4912-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4912-0438?
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What is the minimum amount of 4912-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4912-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4912-0438
  • 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 4912-0438 available by request