Y040-6055 Screening compound: 1-[2-({4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)acetyl]pyrrolidine-2-carboxamide

Y040-6055 Screening compound: 1-[2-({4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)acetyl]pyrrolidine-2-carboxamide
Y040-6055 Screening compound: 1-[2-({4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)acetyl]pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6055
1-[2-({4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)acetyl]pyrrolidine-2-carboxamide

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

Y040-6055

Molecular Formula

C19H20N2O5 (C19 H20 N2 O5)

Compound Name

1-[2-({4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)acetyl]pyrrolidine-2-carboxamide

IUPAC name

1-[2-({4-oxo-1H2H3H4H-cyclopenta[c]chromen-7-yl}oxy)acetyl]pyrrolidine-2-carboxamide

SMILES

NC(C(CCC1)N1C(COc(cc1)cc(O2)c1C(CCC1)=C1C2=O)=O)=O

InChI

InChI=1S/C19H20N2O5/c20-18(23)15-5-2-8-21(15)17(22)10-25-11-6-7-13-12-3-1-4-14(12)19(24)26-16(13)9-11/h6-7,9,15H,1-5,8,10H2,(H2,20,23)/t15-/m0/s1

InChI Key

KBHSVQLPZPPYDX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00586113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.451

Distribution Coefficient, logD

0.451

Water Solubility, LogSw

-2.20

Polar Surface Area

79.186

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

Y040-6055 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-6055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6055?
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What is the minimum amount of Y040-6055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6055
  • 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 Y040-6055 available by request