G593-0027 Screening compound: 1,4-dimethyl 2-({[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethyl]carbamoyl}amino)benzene-1,4-dicarboxylate

G593-0027 Screening compound: 1,4-dimethyl 2-({[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethyl]carbamoyl}amino)benzene-1,4-dicarboxylate
G593-0027 Screening compound: 1,4-dimethyl 2-({[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethyl]carbamoyl}amino)benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G593-0027
1,4-dimethyl 2-({[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethyl]carbamoyl}amino)benzene-1,4-dicarboxylate

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

G593-0027

Molecular Formula

C21H24N2O5S (C21 H24 N2 O5 S)

Compound Name

1,4-dimethyl 2-({[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethyl]carbamoyl}amino)benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-({[2-(4567-tetrahydro-1-benzothiophen-3-yl)ethyl]carbamoyl}amino)benzene-14-dicarboxylate

SMILES

COC(c(cc1)cc(NC(NCCc2csc3c2CCCC3)=O)c1C(OC)=O)=O

InChI

InChI=1S/C21H24N2O5S/c1-27-19(24)13-7-8-16(20(25)28-2)17(11-13)23-21(26)22-10-9-14-12-29-18-6-4-3-5-15(14)18/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,22,23,26)

InChI Key

HAQUAMRLXXOMEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15021689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.057

Distribution Coefficient, logD

4.043

Water Solubility, LogSw

-4.25

Polar Surface Area

76.294

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G593-0027 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G593-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G593-0027?
Check Price and Availability of G593-0027, 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 G593-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G593-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G593-0027
  • 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 G593-0027 available by request