Y200-5876 Screening compound: 3-({3-[(propan-2-yloxy)carbonyl]-4H,5H,6H,7H,8H,9H,10H,11H,12H,13H-cyclododeca[b]thiophen-2-yl}carbamoyl)propanoic acid

Y200-5876 Screening compound: 3-({3-[(propan-2-yloxy)carbonyl]-4H,5H,6H,7H,8H,9H,10H,11H,12H,13H-cyclododeca[b]thiophen-2-yl}carbamoyl)propanoic acid
Y200-5876 Screening compound: 3-({3-[(propan-2-yloxy)carbonyl]-4H,5H,6H,7H,8H,9H,10H,11H,12H,13H-cyclododeca[b]thiophen-2-yl}carbamoyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-5876
3-({3-[(propan-2-yloxy)carbonyl]-4H,5H,6H,7H,8H,9H,10H,11H,12H,13H-cyclododeca[b]thiophen-2-yl}carbamoyl)propanoic 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

Y200-5876

Molecular Formula

C22H33NO5S (C22 H33 NO5 S)

Compound Name

3-({3-[(propan-2-yloxy)carbonyl]-4H,5H,6H,7H,8H,9H,10H,11H,12H,13H-cyclododeca[b]thiophen-2-yl}carbamoyl)propanoic acid

IUPAC name

3-({3-[(propan-2-yloxy)carbonyl]-4H5H6H7H8H9H10H11H12H13H-cyclododeca[b]thiophen-2-yl}carbamoyl)propanoic acid

SMILES

CC(C)OC(c1c(NC(CCC(O)=O)=O)sc2c1CCCCCCCCCC2)=O

InChI

InChI=1S/C22H33NO5S/c1-15(2)28-22(27)20-16-11-9-7-5-3-4-6-8-10-12-17(16)29-21(20)23-18(24)13-14-19(25)26/h15H,3-14H2,1-2H3,(H,23,24)(H,25,26)

InChI Key

HGTNIVXEYNLVSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01923067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.367

Distribution Coefficient, logD

2.418

Water Solubility, LogSw

-5.08

Polar Surface Area

72.250

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.20

References: we are preparing a list of scientific research reports with Y200-5876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-5876?
Check Price and Availability of Y200-5876, 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 Y200-5876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-5876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-5876
  • 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 Y200-5876 available by request