8017-3668 Screening compound: 2-[(5-ethoxy-1H-1,3-benzimidazol-2-yl)sulfanyl]-1-{2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1-imidazolidinyl}-1-ethanone

8017-3668 Screening compound: 2-[(5-ethoxy-1H-1,3-benzimidazol-2-yl)sulfanyl]-1-{2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1-imidazolidinyl}-1-ethanone
8017-3668 Screening compound: 2-[(5-ethoxy-1H-1,3-benzimidazol-2-yl)sulfanyl]-1-{2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1-imidazolidinyl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3668
2-[(5-ethoxy-1H-1,3-benzimidazol-2-yl)sulfanyl]-1-{2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1-imidazolidinyl}-1-ethanone

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

8017-3668

Molecular Formula

C28H30N4O5S2 (C28 H30 N4 O5 S2)

Compound Name

2-[(5-ethoxy-1H-1,3-benzimidazol-2-yl)sulfanyl]-1-{2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1-imidazolidinyl}-1-ethanone

IUPAC name

2-[(5-ethoxy-1H-13-benzodiazol-2-yl)sulfanyl]-1-[2-(4-methoxyphenyl)-3-(4-methylbenzenesulfonyl)imidazolidin-1-yl]ethan-1-one

SMILES

CCOc(cc1)cc2c1[nH]c(SCC(N(CC1)C(c(cc3)ccc3OC)N1S(c1ccc(C)cc1)(=O)=O)=O)n2

InChI

InChI=1S/C28H30N4O5S2/c1-4-37-22-11-14-24-25(17-22)30-28(29-24)38-18-26(33)31-15-16-32(27(31)20-7-9-21(36-3)10-8-20)39(34,35)23-12-5-19(2)6-13-23/h5-14,17,27H,4,15-16,18H2,1-3H3,(H,29,30)/t27-/m0/s1

InChI Key

JNDJOJUUJRBQDB-MHZLTWQESA-N

MDL Number (MFCD)

MFCD06016226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.7

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.819

Distribution Coefficient, logD

4.756

Water Solubility, LogSw

-4.56

Polar Surface Area

80.571

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

8017-3668 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 8017-3668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3668?
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What is the minimum amount of 8017-3668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3668
  • 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 8017-3668 available by request