Y042-7712 Screening compound: 2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)butanoic acid

Y042-7712 Screening compound: 2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)butanoic acid
Y042-7712 Screening compound: 2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-7712
2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)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

Y042-7712

Molecular Formula

C17H18O5 (C17 H18 O5)

Compound Name

2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)butanoic acid

IUPAC name

2-({6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl}oxy)butanoic acid

SMILES

CCC(C(O)=O)Oc(cc1)cc(O2)c1C(CCCC1)=C1C2=O

InChI

InChI=1S/C17H18O5/c1-2-14(16(18)19)21-10-7-8-12-11-5-3-4-6-13(11)17(20)22-15(12)9-10/h7-9,14H,2-6H2,1H3,(H,18,19)/t14-/m0/s1

InChI Key

QIEVXAKSTZQGKO-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD11558240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.082

Distribution Coefficient, logD

-0.887

Water Solubility, LogSw

-3.14

Polar Surface Area

56.161

Acid Dissociation Constant (pKa)

3.43

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

Y042-7712 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 Y042-7712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-7712?
Check Price and Availability of Y042-7712, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y042-7712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-7712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-7712
  • 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 Y042-7712 available by request