3461-3143 Screening compound: methyl 5-{acetyl[(4-tert-butylphenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate

3461-3143 Screening compound: methyl 5-{acetyl[(4-tert-butylphenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate
3461-3143 Screening compound: methyl 5-{acetyl[(4-tert-butylphenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-3143
methyl 5-{acetyl[(4-tert-butylphenyl)sulfonyl]amino}-2-methyl-1-benzofuran-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

3461-3143

Molecular Formula

C23H25NO6S (C23 H25 NO6 S)

Compound Name

methyl 5-{acetyl[(4-tert-butylphenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

methyl 5-[N-(4-tert-butylbenzenesulfonyl)acetamido]-2-methyl-1-benzofuran-3-carboxylate

SMILES

CC(C)(C)c(cc1)ccc1S(N(C(C)=O)c(cc1)cc2c1oc(C)c2C(OC)=O)(=O)=O

InChI

InChI=1S/C23H25NO6S/c1-14-21(22(26)29-6)19-13-17(9-12-20(19)30-14)24(15(2)25)31(27,28)18-10-7-16(8-11-18)23(3,4)5/h7-13H,1-6H3

InChI Key

JNYDVVWYTHQFGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02345900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.746

Distribution Coefficient, logD

4.746

Water Solubility, LogSw

-4.83

Polar Surface Area

75.407

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

-14.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

3461-3143 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 3461-3143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-3143?
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What is the minimum amount of 3461-3143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-3143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-3143
  • 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 3461-3143 available by request