3019-0670 Screening compound: 2,4-diethyl 5-[3-(azepane-1-sulfonyl)benzamido]-3-methylthiophene-2,4-dicarboxylate

3019-0670 Screening compound: 2,4-diethyl 5-[3-(azepane-1-sulfonyl)benzamido]-3-methylthiophene-2,4-dicarboxylate
3019-0670 Screening compound: 2,4-diethyl 5-[3-(azepane-1-sulfonyl)benzamido]-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3019-0670
2,4-diethyl 5-[3-(azepane-1-sulfonyl)benzamido]-3-methylthiophene-2,4-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

3019-0670

Molecular Formula

C24H30N2O7S2 (C24 H30 N2 O7 S2)

Compound Name

2,4-diethyl 5-[3-(azepane-1-sulfonyl)benzamido]-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-[3-(azepane-1-sulfonyl)benzamido]-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(c2cccc(S(N3CCCCCC3)(=O)=O)c2)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C24H30N2O7S2/c1-4-32-23(28)19-16(3)20(24(29)33-5-2)34-22(19)25-21(27)17-11-10-12-18(15-17)35(30,31)26-13-8-6-7-9-14-26/h10-12,15H,4-9,13-14H2,1-3H3,(H,25,27)

InChI Key

XTDAKJZFYDRQAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.64

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.281

Distribution Coefficient, logD

0.167

Water Solubility, LogSw

-4.24

Polar Surface Area

96.673

Acid Dissociation Constant (pKa)

3.29

Base Dissociation Constant (pKb)

-4.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

3019-0670 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 3019-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3019-0670?
Check Price and Availability of 3019-0670, 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 3019-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3019-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3019-0670
  • 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 3019-0670 available by request