Y040-3702 Screening compound: 2-(2-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamido)butanoic acid

Y040-3702 Screening compound: 2-(2-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamido)butanoic acid
Y040-3702 Screening compound: 2-(2-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamido)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3702
2-(2-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamido)butanoic 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

Y040-3702

Molecular Formula

C20H21NO6 (C20 H21 NO6)

Compound Name

2-(2-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamido)butanoic acid

IUPAC name

2-(2-{359-trimethyl-7-oxo-7H-furo[32-g]chromen-6-yl}acetamido)butanoic acid

SMILES

CCC(C(O)=O)NC(CC1=C(C)c(cc(c(C)co2)c2c2C)c2OC1=O)=O

InChI

InChI=1S/C20H21NO6/c1-5-15(19(23)24)21-16(22)7-14-10(3)13-6-12-9(2)8-26-17(12)11(4)18(13)27-20(14)25/h6,8,15H,5,7H2,1-4H3,(H,21,22)(H,23,24)/t15-/m0/s1

InChI Key

PDXSMFZCPSLJRO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD04144362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.963

Distribution Coefficient, logD

-1.655

Water Solubility, LogSw

-2.43

Polar Surface Area

83.147

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

Y040-3702 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 Y040-3702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3702?
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What is the minimum amount of Y040-3702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3702
  • 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 Y040-3702 available by request