Y040-4307 Screening compound: 2-{[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]amino}acetic acid

Y040-4307 Screening compound: 2-{[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]amino}acetic acid
Y040-4307 Screening compound: 2-{[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]amino}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4307
2-{[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]amino}acetic 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

Y040-4307

Molecular Formula

C22H23NO6 (C22 H23 NO6)

Compound Name

2-{[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]amino}acetic acid

IUPAC name

2-(3-{27-dimethyl-5-oxo-417-dioxatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-13(8)6911(16)-pentaen-6-yl}propanamido)acetic acid

SMILES

Cc1c2oc(CCCC3)c3c2cc(C(C)=C2CCC(NCC(O)=O)=O)c1OC2=O

InChI

InChI=1S/C22H23NO6/c1-11-13(7-8-18(24)23-10-19(25)26)22(27)29-20-12(2)21-16(9-15(11)20)14-5-3-4-6-17(14)28-21/h9H,3-8,10H2,1-2H3,(H,23,24)(H,25,26)

InChI Key

WDTWGWTXNBNQSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04146937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

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

2.413

Distribution Coefficient, logD

-1.473

Water Solubility, LogSw

-2.66

Polar Surface Area

82.048

Acid Dissociation Constant (pKa)

3.51

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

Y040-4307 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-4307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4307?
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What is the minimum amount of Y040-4307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4307
  • 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 Y040-4307 available by request