Y206-6521 Screening compound: 3-{[(3-{[(2-furylmethyl)amino]carbonyl}-2-thienyl)amino]carbonyl}-7-(1-methylethylidene)bicyclo[2.2.1]heptane-2-carboxylic acid

Y206-6521 Screening compound: 3-{[(3-{[(2-furylmethyl)amino]carbonyl}-2-thienyl)amino]carbonyl}-7-(1-methylethylidene)bicyclo[2.2.1]heptane-2-carboxylic acid
Y206-6521 Screening compound: 3-{[(3-{[(2-furylmethyl)amino]carbonyl}-2-thienyl)amino]carbonyl}-7-(1-methylethylidene)bicyclo[2.2.1]heptane-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-6521
3-{[(3-{[(2-furylmethyl)amino]carbonyl}-2-thienyl)amino]carbonyl}-7-(1-methylethylidene)bicyclo[2.2.1]heptane-2-carboxylic 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

Y206-6521

Molecular Formula

C22H24N2O5S (C22 H24 N2 O5 S)

Compound Name

3-{[(3-{[(2-furylmethyl)amino]carbonyl}-2-thienyl)amino]carbonyl}-7-(1-methylethylidene)bicyclo[2.2.1]heptane-2-carboxylic acid

IUPAC name

3-[(3-{[(furan-2-yl)methyl]carbamoyl}thiophen-2-yl)carbamoyl]-7-(propan-2-ylidene)bicyclo[2.2.1]heptane-2-carboxylic acid

SMILES

CC(C)=C(C(CC1)C2C(Nc(scc3)c3C(NCc3ccco3)=O)=O)C1C2C(O)=O

InChI

InChI=1S/C22H24N2O5S/c1-11(2)16-13-5-6-14(16)18(22(27)28)17(13)20(26)24-21-15(7-9-30-21)19(25)23-10-12-4-3-8-29-12/h3-4,7-9,13-14,17-18H,5-6,10H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)

InChI Key

IEZTXZCSFNOOQM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.962

Distribution Coefficient, logD

0.637

Water Solubility, LogSw

-3.51

Polar Surface Area

84.539

Acid Dissociation Constant (pKa)

5.08

Base Dissociation Constant (pKb)

-5.53

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

40.91

Y206-6521 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y206-6521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-6521?
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What is the minimum amount of Y206-6521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-6521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-6521
  • 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 Y206-6521 available by request