Y205-9971 Screening compound: 3-{[4-(isopropoxycarbonyl)anilino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Y205-9971 Screening compound: 3-{[4-(isopropoxycarbonyl)anilino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Y205-9971 Screening compound: 3-{[4-(isopropoxycarbonyl)anilino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-9971
3-{[4-(isopropoxycarbonyl)anilino]carbonyl}bicyclo[2.2.1]hept-5-ene-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

Y205-9971

Molecular Formula

C19H21NO5 (C19 H21 NO5)

Compound Name

3-{[4-(isopropoxycarbonyl)anilino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

IUPAC name

3-({4-[(propan-2-yloxy)carbonyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

SMILES

CC(C)OC(c(cc1)ccc1NC(C(C1C=CC2C1)C2C(O)=O)=O)=O

InChI

InChI=1S/C19H21NO5/c1-10(2)25-19(24)11-5-7-14(8-6-11)20-17(21)15-12-3-4-13(9-12)16(15)18(22)23/h3-8,10,12-13,15-16H,9H2,1-2H3,(H,20,21)(H,22,23)

InChI Key

CWRVTBXPXRGAHL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.838

Distribution Coefficient, logD

0.513

Water Solubility, LogSw

-3.43

Polar Surface Area

73.015

Acid Dissociation Constant (pKa)

5.08

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

42.11

Y205-9971 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y205-9971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-9971?
Check Price and Availability of Y205-9971, 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 Y205-9971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-9971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-9971
  • 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 Y205-9971 available by request