Y040-5009 Screening compound: N~4~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-{[1-(4-methoxyphenyl)-5-oxotetrahydro-1H-pyrrol-3-yl]carbonyl}-4-piperidinecarboxamide

Y040-5009 Screening compound: N~4~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-{[1-(4-methoxyphenyl)-5-oxotetrahydro-1H-pyrrol-3-yl]carbonyl}-4-piperidinecarboxamide
Y040-5009 Screening compound: N~4~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-{[1-(4-methoxyphenyl)-5-oxotetrahydro-1H-pyrrol-3-yl]carbonyl}-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5009
N~4~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-{[1-(4-methoxyphenyl)-5-oxotetrahydro-1H-pyrrol-3-yl]carbonyl}-4-piperidinecarboxamide

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

Y040-5009

Molecular Formula

C22H29N3O6S (C22 H29 N3 O6 S)

Compound Name

N~4~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-{[1-(4-methoxyphenyl)-5-oxotetrahydro-1H-pyrrol-3-yl]carbonyl}-4-piperidinecarboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-1-[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

SMILES

COc(cc1)ccc1N(CC(C1)C(N(CC2)CCC2C(NC(CC2)CS2(=O)=O)=O)=O)C1=O

InChI

InChI=1S/C22H29N3O6S/c1-31-19-4-2-18(3-5-19)25-13-16(12-20(25)26)22(28)24-9-6-15(7-10-24)21(27)23-17-8-11-32(29,30)14-17/h2-5,15-17H,6-14H2,1H3,(H,23,27)

InChI Key

NVWOWCHZLBMRBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12203472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.399

Distribution Coefficient, logD

-0.399

Water Solubility, LogSw

-2.13

Polar Surface Area

93.756

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

59.10

Y040-5009 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y040-5009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5009?
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What is the minimum amount of Y040-5009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5009
  • 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 Y040-5009 available by request