8014-7577 Screening compound: ethyl 4-(2-{1-ethyl-5-oxo-2-sulfanylidene-3-[(thiophen-2-yl)methyl]imidazolidin-4-yl}acetamido)benzoate

8014-7577 Screening compound: ethyl 4-(2-{1-ethyl-5-oxo-2-sulfanylidene-3-[(thiophen-2-yl)methyl]imidazolidin-4-yl}acetamido)benzoate
8014-7577 Screening compound: ethyl 4-(2-{1-ethyl-5-oxo-2-sulfanylidene-3-[(thiophen-2-yl)methyl]imidazolidin-4-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-7577
ethyl 4-(2-{1-ethyl-5-oxo-2-sulfanylidene-3-[(thiophen-2-yl)methyl]imidazolidin-4-yl}acetamido)benzoate

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

8014-7577

Molecular Formula

C21H23N3O4S2 (C21 H23 N3 O4 S2)

Compound Name

ethyl 4-(2-{1-ethyl-5-oxo-2-sulfanylidene-3-[(thiophen-2-yl)methyl]imidazolidin-4-yl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{1-ethyl-5-oxo-2-sulfanylidene-3-[(thiophen-2-yl)methyl]imidazolidin-4-yl}acetamido)benzoate

SMILES

CCN(C(C(CC(Nc(cc1)ccc1C(OCC)=O)=O)N1Cc2cccs2)=O)C1=S

InChI

InChI=1S/C21H23N3O4S2/c1-3-23-19(26)17(24(21(23)29)13-16-6-5-11-30-16)12-18(25)22-15-9-7-14(8-10-15)20(27)28-4-2/h5-11,17H,3-4,12-13H2,1-2H3,(H,22,25)/t17-/m1/s1

InChI Key

OLQKZVFFDOOKAQ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03673732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.293

Distribution Coefficient, logD

3.293

Water Solubility, LogSw

-3.37

Polar Surface Area

63.777

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8014-7577 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-7577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-7577?
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What is the minimum amount of 8014-7577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-7577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-7577
  • 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 8014-7577 available by request