0988-0157 Screening compound: 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}benzoic acid

0988-0157 Screening compound: 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}benzoic acid
0988-0157 Screening compound: 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0988-0157
2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}benzoic 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

0988-0157

Molecular Formula

C19H19NO5S (C19 H19 NO5 S)

Compound Name

2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}benzoic acid

IUPAC name

2-{[3-(ethoxycarbonyl)-4567-tetrahydro-1-benzothiophen-2-yl]carbamoyl}benzoic acid

SMILES

CCOC(c1c(NC(c(cccc2)c2C(O)=O)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C19H19NO5S/c1-2-25-19(24)15-13-9-5-6-10-14(13)26-17(15)20-16(21)11-7-3-4-8-12(11)18(22)23/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,20,21)(H,22,23)

InChI Key

QRKGNIKWFKAJHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00369984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.43

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

3.394

Distribution Coefficient, logD

-1.401

Water Solubility, LogSw

-3.85

Polar Surface Area

72.206

Acid Dissociation Constant (pKa)

2.61

Base Dissociation Constant (pKb)

-6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

0988-0157 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0988-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0988-0157?
Check Price and Availability of 0988-0157, 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 0988-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0988-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0988-0157
  • 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 0988-0157 available by request