V028-8865 Screening compound: 4-benzyl-1-{6-[(3-methoxyphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}piperidine

V028-8865 Screening compound: 4-benzyl-1-{6-[(3-methoxyphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}piperidine
V028-8865 Screening compound: 4-benzyl-1-{6-[(3-methoxyphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-8865
4-benzyl-1-{6-[(3-methoxyphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}piperidine

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

V028-8865

Molecular Formula

C27H28N2O2S (C27 H28 N2 O2 S)

Compound Name

4-benzyl-1-{6-[(3-methoxyphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}piperidine

IUPAC name

4-benzyl-1-{6-[(3-methoxyphenyl)methyl]-6H-thieno[23-b]pyrrole-5-carbonyl}piperidine

SMILES

COc1cccc(Cn2c(scc3)c3cc2C(N2CCC(Cc3ccccc3)CC2)=O)c1

InChI

InChI=1S/C27H28N2O2S/c1-31-24-9-5-8-22(17-24)19-29-25(18-23-12-15-32-27(23)29)26(30)28-13-10-21(11-14-28)16-20-6-3-2-4-7-20/h2-9,12,15,17-18,21H,10-11,13-14,16,19H2,1H3

InChI Key

NYJAKKPPFVTLEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19842092

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

444.6

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.372

Distribution Coefficient, logD

6.372

Water Solubility, LogSw

-5.93

Polar Surface Area

25.466

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

V028-8865 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-8865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-8865?
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What is the minimum amount of V028-8865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-8865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-8865
  • 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 V028-8865 available by request