C761-0606 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-phenylpentanamide

C761-0606 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-phenylpentanamide
C761-0606 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-phenylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-0606
N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-phenylpentanamide

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

C761-0606

Molecular Formula

C15H19NO3S (C15 H19 NO3 S)

Compound Name

N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-phenylpentanamide

IUPAC name

N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-N-phenylpentanamide

SMILES

CCCCC(N(C(C1)C=CS1(=O)=O)c1ccccc1)=O

InChI

InChI=1S/C15H19NO3S/c1-2-3-9-15(17)16(13-7-5-4-6-8-13)14-10-11-20(18,19)12-14/h4-8,10-11,14H,2-3,9,12H2,1H3/t14-/m0/s1

InChI Key

WCFVGTMKWNPNJV-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD05898632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.073

Distribution Coefficient, logD

2.073

Water Solubility, LogSw

-2.45

Polar Surface Area

43.124

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

-4.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

C761-0606 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C761-0606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-0606?
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What is the minimum amount of C761-0606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-0606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-0606
  • 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 C761-0606 available by request