Y041-4678 Screening compound: 8-chloro-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-(4-methylbenzenesulfonamido)-3-phenylpropanoate

Y041-4678 Screening compound: 8-chloro-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-(4-methylbenzenesulfonamido)-3-phenylpropanoate
Y041-4678 Screening compound: 8-chloro-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-(4-methylbenzenesulfonamido)-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4678
8-chloro-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-(4-methylbenzenesulfonamido)-3-phenylpropanoate

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

Y041-4678

Molecular Formula

C28H24ClNO6S (C28 H24 ClNO6 S)

Compound Name

8-chloro-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-(4-methylbenzenesulfonamido)-3-phenylpropanoate

IUPAC name

8-chloro-4-oxo-1H2H3H4H-cyclopenta[c]chromen-7-yl (2S)-2-(4-methylbenzenesulfonamido)-3-phenylpropanoate

SMILES

Cc(cc1)ccc1S(NC(Cc1ccccc1)C(Oc(cc(c(C1=C2CCC1)c1)OC2=O)c1Cl)=O)(=O)=O

InChI

InChI=1S/C28H24ClNO6S/c1-17-10-12-19(13-11-17)37(33,34)30-24(14-18-6-3-2-4-7-18)28(32)36-26-16-25-22(15-23(26)29)20-8-5-9-21(20)27(31)35-25/h2-4,6-7,10-13,15-16,24,30H,5,8-9,14H2,1H3/t24-/m0/s1

InChI Key

ULZMIESGBGYLOA-DEOSSOPVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.02

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

5.691

Distribution Coefficient, logD

5.691

Water Solubility, LogSw

-5.90

Polar Surface Area

83.513

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

-9.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with Y041-4678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4678?
Check Price and Availability of Y041-4678, 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 Y041-4678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4678
  • 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 Y041-4678 available by request