3333-3958 Screening compound: ethyl 4,5-dimethyl-2-[3-(piperidine-1-sulfonyl)benzamido]thiophene-3-carboxylate

3333-3958 Screening compound: ethyl 4,5-dimethyl-2-[3-(piperidine-1-sulfonyl)benzamido]thiophene-3-carboxylate
3333-3958 Screening compound: ethyl 4,5-dimethyl-2-[3-(piperidine-1-sulfonyl)benzamido]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3333-3958
ethyl 4,5-dimethyl-2-[3-(piperidine-1-sulfonyl)benzamido]thiophene-3-carboxylate

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

3333-3958

Molecular Formula

C21H26N2O5S2 (C21 H26 N2 O5 S2)

Compound Name

ethyl 4,5-dimethyl-2-[3-(piperidine-1-sulfonyl)benzamido]thiophene-3-carboxylate

IUPAC name

ethyl 45-dimethyl-2-[3-(piperidine-1-sulfonyl)benzamido]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2cccc(S(N3CCCCC3)(=O)=O)c2)=O)sc(C)c1C)=O

InChI

InChI=1S/C21H26N2O5S2/c1-4-28-21(25)18-14(2)15(3)29-20(18)22-19(24)16-9-8-10-17(13-16)30(26,27)23-11-6-5-7-12-23/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,24)

InChI Key

PKWIMOKOHFPMDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04410105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.860

Distribution Coefficient, logD

-0.474

Water Solubility, LogSw

-4.06

Polar Surface Area

75.589

Acid Dissociation Constant (pKa)

3.07

Base Dissociation Constant (pKb)

-4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

3333-3958 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 3333-3958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3333-3958?
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What is the minimum amount of 3333-3958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3333-3958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3333-3958
  • 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 3333-3958 available by request