4912-0334 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N'-(2-hydroxyethyl)urea

4912-0334 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N'-(2-hydroxyethyl)urea
4912-0334 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N'-(2-hydroxyethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4912-0334
N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N'-(2-hydroxyethyl)urea

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

4912-0334

Molecular Formula

C7H14N2O4S (C7 H14 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

OCCNC(NC(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C7H14N2O4S/c10-3-2-8-7(11)9-6-1-4-14(12,13)5-6/h6,10H,1-5H2,(H2,8,9,11)/t6-/m1/s1

InChI Key

BCPLHWCCJGRAAF-ZCFIWIBFSA-N

MDL Number (MFCD)

MFCD00456607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-1.884

Distribution Coefficient, logD

-1.884

Water Solubility, LogSw

-1.25

Polar Surface Area

80.117

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

85.70

4912-0334 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4912-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4912-0334?
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What is the minimum amount of 4912-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4912-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4912-0334
  • 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 4912-0334 available by request