3630-0877 Screening compound: 1-benzyl-3-[3-(1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)propyl]thiourea

3630-0877 Screening compound: 1-benzyl-3-[3-(1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)propyl]thiourea
3630-0877 Screening compound: 1-benzyl-3-[3-(1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)propyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3630-0877
1-benzyl-3-[3-(1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)propyl]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

3630-0877

Molecular Formula

C21H24N4OS2 (C21 H24 N4 OS2)

Compound Name

1-benzyl-3-[3-(1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)propyl]thiourea

IUPAC name

1-benzyl-3-[3-(1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)propyl]thiourea

SMILES

O=C(C(CCCNC(NCc1ccccc1)=S)N1)N(Cc2ccccc2)C1=S

InChI

InChI=1S/C21H24N4OS2/c26-19-18(24-21(28)25(19)15-17-10-5-2-6-11-17)12-7-13-22-20(27)23-14-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,24,28)(H2,22,23,27)/t18-/m1/s1

InChI Key

GYLHWHMGIRNPGX-GOSISDBHSA-N

MDL Number (MFCD)

MFCD02163002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.602

Distribution Coefficient, logD

2.602

Water Solubility, LogSw

-2.98

Polar Surface Area

50.082

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

3630-0877 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3630-0877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3630-0877?
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What is the minimum amount of 3630-0877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3630-0877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3630-0877
  • 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 3630-0877 available by request