8014-7911 Screening compound: ethyl 4-({2-[3-(4-chlorobenzyl)-1-ethyl-5-oxo-2-thioxo-4-imidazolidinyl]acetyl}amino)benzoate

8014-7911 Screening compound: ethyl 4-({2-[3-(4-chlorobenzyl)-1-ethyl-5-oxo-2-thioxo-4-imidazolidinyl]acetyl}amino)benzoate
8014-7911 Screening compound: ethyl 4-({2-[3-(4-chlorobenzyl)-1-ethyl-5-oxo-2-thioxo-4-imidazolidinyl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-7911
ethyl 4-({2-[3-(4-chlorobenzyl)-1-ethyl-5-oxo-2-thioxo-4-imidazolidinyl]acetyl}amino)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

8014-7911

Molecular Formula

C23H24ClN3O4S (C23 H24 ClN3 O4 S)

Compound Name

ethyl 4-({2-[3-(4-chlorobenzyl)-1-ethyl-5-oxo-2-thioxo-4-imidazolidinyl]acetyl}amino)benzoate

IUPAC name

ethyl 4-(2-{3-[(4-chlorophenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate

SMILES

CCN(C(C(CC(Nc(cc1)ccc1C(OCC)=O)=O)N1Cc(cc2)ccc2Cl)=O)C1=S

InChI

InChI=1S/C23H24ClN3O4S/c1-3-26-21(29)19(27(23(26)32)14-15-5-9-17(24)10-6-15)13-20(28)25-18-11-7-16(8-12-18)22(30)31-4-2/h5-12,19H,3-4,13-14H2,1-2H3,(H,25,28)/t19-/m0/s1

InChI Key

GOQCXBAIWCROLC-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02142801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.98

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

3.918

Distribution Coefficient, logD

3.917

Water Solubility, LogSw

-4.47

Polar Surface Area

62.759

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.43

8014-7911 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 8014-7911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-7911?
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What is the minimum amount of 8014-7911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-7911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-7911
  • 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 8014-7911 available by request