Y042-9317 Screening compound: 6-oxo-6H-benzo[c]chromen-3-yl 4-methyl-2-(4-methylbenzenesulfonamido)pentanoate

Y042-9317 Screening compound: 6-oxo-6H-benzo[c]chromen-3-yl 4-methyl-2-(4-methylbenzenesulfonamido)pentanoate
Y042-9317 Screening compound: 6-oxo-6H-benzo[c]chromen-3-yl 4-methyl-2-(4-methylbenzenesulfonamido)pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-9317
6-oxo-6H-benzo[c]chromen-3-yl 4-methyl-2-(4-methylbenzenesulfonamido)pentanoate

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

Y042-9317

Molecular Formula

C26H25NO6S (C26 H25 NO6 S)

Compound Name

6-oxo-6H-benzo[c]chromen-3-yl 4-methyl-2-(4-methylbenzenesulfonamido)pentanoate

IUPAC name

6-oxo-6H-benzo[c]chromen-3-yl (2S)-4-methyl-2-(4-methylbenzenesulfonamido)pentanoate

SMILES

CC(C)CC(C(Oc(cc1)cc(O2)c1-c(cccc1)c1C2=O)=O)NS(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C26H25NO6S/c1-16(2)14-23(27-34(30,31)19-11-8-17(3)9-12-19)26(29)32-18-10-13-21-20-6-4-5-7-22(20)25(28)33-24(21)15-18/h4-13,15-16,23,27H,14H2,1-3H3/t23-/m0/s1

InChI Key

UPADPZFEOKPQGK-QHCPKHFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.129

Distribution Coefficient, logD

5.129

Water Solubility, LogSw

-5.30

Polar Surface Area

83.140

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

-7.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with Y042-9317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-9317?
Check Price and Availability of Y042-9317, 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 Y042-9317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-9317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-9317
  • 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 Y042-9317 available by request