D348-0274 Screening compound: 1,3-dimethyl 5-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-amido]benzene-1,3-dicarboxylate

D348-0274 Screening compound: 1,3-dimethyl 5-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-amido]benzene-1,3-dicarboxylate
D348-0274 Screening compound: 1,3-dimethyl 5-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-amido]benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D348-0274
1,3-dimethyl 5-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-amido]benzene-1,3-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

D348-0274

Molecular Formula

C22H24N2O7S (C22 H24 N2 O7 S)

Compound Name

1,3-dimethyl 5-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-amido]benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-[1-(ethanesulfonyl)-1234-tetrahydroquinoline-6-amido]benzene-13-dicarboxylate

SMILES

CCS(N(CCC1)c(cc2)c1cc2C(Nc1cc(C(OC)=O)cc(C(OC)=O)c1)=O)(=O)=O

InChI

InChI=1S/C22H24N2O7S/c1-4-32(28,29)24-9-5-6-14-10-15(7-8-19(14)24)20(25)23-18-12-16(21(26)30-2)11-17(13-18)22(27)31-3/h7-8,10-13H,4-6,9H2,1-3H3,(H,23,25)

InChI Key

SGFBQZUTMMJVKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09673750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.096

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-3.63

Polar Surface Area

96.996

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

-4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D348-0274 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D348-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D348-0274?
Check Price and Availability of D348-0274, 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 D348-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D348-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D348-0274
  • 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 D348-0274 available by request