Y040-3982 Screening compound: 1-(2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetyl)piperidine-2-carboxylic acid

Y040-3982 Screening compound: 1-(2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetyl)piperidine-2-carboxylic acid
Y040-3982 Screening compound: 1-(2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetyl)piperidine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3982
1-(2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetyl)piperidine-2-carboxylic acid

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

Y040-3982

Molecular Formula

C21H21NO6 (C21 H21 NO6)

Compound Name

1-(2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetyl)piperidine-2-carboxylic acid

IUPAC name

1-(2-{35-dimethyl-7-oxo-7H-furo[32-g]chromen-6-yl}acetyl)piperidine-2-carboxylic acid

SMILES

Cc(c1c2)coc1cc(O1)c2C(C)=C(CC(N(CCCC2)C2C(O)=O)=O)C1=O

InChI

InChI=1S/C21H21NO6/c1-11-10-27-17-9-18-14(7-13(11)17)12(2)15(21(26)28-18)8-19(23)22-6-4-3-5-16(22)20(24)25/h7,9-10,16H,3-6,8H2,1-2H3,(H,24,25)/t16-/m0/s1

InChI Key

RISFVYSCNUHJFS-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04143075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.253

Distribution Coefficient, logD

-1.407

Water Solubility, LogSw

-2.38

Polar Surface Area

74.943

Acid Dissociation Constant (pKa)

3.74

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

Y040-3982 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 Y040-3982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3982?
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What is the minimum amount of Y040-3982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3982
  • 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 Y040-3982 available by request