8009-9272 Screening compound: ethyl 1-(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-4-nitrophenyl)piperidine-4-carboxylate

8009-9272 Screening compound: ethyl 1-(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-4-nitrophenyl)piperidine-4-carboxylate
8009-9272 Screening compound: ethyl 1-(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-4-nitrophenyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9272
ethyl 1-(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-4-nitrophenyl)piperidine-4-carboxylate

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

8009-9272

Molecular Formula

C26H31N3O7S (C26 H31 N3 O7 S)

Compound Name

ethyl 1-(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-4-nitrophenyl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(2-{[3-(ethoxycarbonyl)-4567-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-4-nitrophenyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1c(ccc([N+]([O-])=O)c1)c1C(Nc1c(C(OCC)=O)c(CCCC2)c2s1)=O)=O

InChI

InChI=1S/C26H31N3O7S/c1-3-35-25(31)16-11-13-28(14-12-16)20-10-9-17(29(33)34)15-19(20)23(30)27-24-22(26(32)36-4-2)18-7-5-6-8-21(18)37-24/h9-10,15-16H,3-8,11-14H2,1-2H3,(H,27,30)

InChI Key

FWYMCUUVYALZOD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.61

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.962

Distribution Coefficient, logD

-0.099

Water Solubility, LogSw

-4.75

Polar Surface Area

101.085

Acid Dissociation Constant (pKa)

2.34

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8009-9272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9272?
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What is the minimum amount of 8009-9272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9272
  • 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 8009-9272 available by request