6049-2472 Screening compound: 6-{[3-(ETHOXYCARBONYL)-4-(3-METHYLPHENYL)THIOPHEN-2-YL]CARBAMOYL}CYCLOHEX-3-ENE-1-CARBOXYLIC ACID

6049-2472 Screening compound: 6-{[3-(ETHOXYCARBONYL)-4-(3-METHYLPHENYL)THIOPHEN-2-YL]CARBAMOYL}CYCLOHEX-3-ENE-1-CARBOXYLIC ACID
6049-2472 Screening compound: 6-{[3-(ETHOXYCARBONYL)-4-(3-METHYLPHENYL)THIOPHEN-2-YL]CARBAMOYL}CYCLOHEX-3-ENE-1-CARBOXYLIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-2472
6-{[3-(ETHOXYCARBONYL)-4-(3-METHYLPHENYL)THIOPHEN-2-YL]CARBAMOYL}CYCLOHEX-3-ENE-1-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

6049-2472

Molecular Formula

C22H23NO5S (C22 H23 NO5 S)

Compound Name

6-{[3-(ETHOXYCARBONYL)-4-(3-METHYLPHENYL)THIOPHEN-2-YL]CARBAMOYL}CYCLOHEX-3-ENE-1-CARBOXYLIC ACID

IUPAC name

n/a

SMILES

CCOC(c1c(NC(C(CC=CC2)C2C(O)=O)=O)scc1-c1cc(C)ccc1)=O

InChI

InChI=1S/C22H23NO5S/c1-3-28-22(27)18-17(14-8-6-7-13(2)11-14)12-29-20(18)23-19(24)15-9-4-5-10-16(15)21(25)26/h4-8,11-12,15-16H,3,9-10H2,1-2H3,(H,23,24)(H,25,26)

InChI Key

LEEADSBKBGVHNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02254729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.49

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

4.185

Distribution Coefficient, logD

1.829

Water Solubility, LogSw

-4.28

Polar Surface Area

72.206

Acid Dissociation Constant (pKa)

5.05

Base Dissociation Constant (pKb)

-8.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

9.00

6049-2472 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6049-2472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-2472?
Check Price and Availability of 6049-2472, 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 6049-2472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-2472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-2472
  • 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 6049-2472 available by request