8018-2231 Screening compound: N~1~-({1-[2,5-dioxo-1-(4-propoxyphenyl)tetrahydro-1H-pyrrol-3-yl]-4-piperidyl}methyl)acetamide

8018-2231 Screening compound: N~1~-({1-[2,5-dioxo-1-(4-propoxyphenyl)tetrahydro-1H-pyrrol-3-yl]-4-piperidyl}methyl)acetamide
8018-2231 Screening compound: N~1~-({1-[2,5-dioxo-1-(4-propoxyphenyl)tetrahydro-1H-pyrrol-3-yl]-4-piperidyl}methyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2231
N~1~-({1-[2,5-dioxo-1-(4-propoxyphenyl)tetrahydro-1H-pyrrol-3-yl]-4-piperidyl}methyl)acetamide

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

8018-2231

Molecular Formula

C21H29N3O4 (C21 H29 N3 O4)

Compound Name

N~1~-({1-[2,5-dioxo-1-(4-propoxyphenyl)tetrahydro-1H-pyrrol-3-yl]-4-piperidyl}methyl)acetamide

IUPAC name

n/a

SMILES

CCCOc(cc1)ccc1N(C(CC1N2CCC(CNC(C)=O)CC2)=O)C1=O

InChI

InChI=1S/C21H29N3O4/c1-3-12-28-18-6-4-17(5-7-18)24-20(26)13-19(21(24)27)23-10-8-16(9-11-23)14-22-15(2)25/h4-7,16,19H,3,8-14H2,1-2H3,(H,22,25)/t19-/m0/s1

InChI Key

WJSQUMDDEBXKTQ-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.100

Distribution Coefficient, logD

1.099

Water Solubility, LogSw

-2.05

Polar Surface Area

63.990

Acid Dissociation Constant (pKa)

15.05

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

8018-2231 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-2231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2231?
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What is the minimum amount of 8018-2231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2231
  • 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 8018-2231 available by request