D076-0071 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-methoxybenzyl)-3-propoxybenzamide

D076-0071 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-methoxybenzyl)-3-propoxybenzamide
D076-0071 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-methoxybenzyl)-3-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0071
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-methoxybenzyl)-3-propoxybenzamide

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

D076-0071

Molecular Formula

C22H27NO5S (C22 H27 NO5 S)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-methoxybenzyl)-3-propoxybenzamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-3-propoxybenzamide

SMILES

CCCOc1cccc(C(N(Cc2cc(OC)ccc2)C(CC2)CS2(=O)=O)=O)c1

InChI

InChI=1S/C22H27NO5S/c1-3-11-28-21-9-5-7-18(14-21)22(24)23(19-10-12-29(25,26)16-19)15-17-6-4-8-20(13-17)27-2/h4-9,13-14,19H,3,10-12,15-16H2,1-2H3/t19-/m1/s1

InChI Key

UQKVKQMAHHLLLN-LJQANCHMSA-N

MDL Number (MFCD)

MFCD07425489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.970

Distribution Coefficient, logD

2.970

Water Solubility, LogSw

-3.38

Polar Surface Area

58.821

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-5.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

D076-0071 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D076-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0071?
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What is the minimum amount of D076-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0071
  • 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 D076-0071 available by request