G016-0983 Screening compound: N-[(2-chlorophenyl)methyl]-3-methyl-2-oxo-8-(thiophene-2-sulfonyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

G016-0983 Screening compound: N-[(2-chlorophenyl)methyl]-3-methyl-2-oxo-8-(thiophene-2-sulfonyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
G016-0983 Screening compound: N-[(2-chlorophenyl)methyl]-3-methyl-2-oxo-8-(thiophene-2-sulfonyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G016-0983
N-[(2-chlorophenyl)methyl]-3-methyl-2-oxo-8-(thiophene-2-sulfonyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

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

G016-0983

Molecular Formula

C21H21ClN2O5S2 (C21 H21 ClN2 O5 S2)

Compound Name

N-[(2-chlorophenyl)methyl]-3-methyl-2-oxo-8-(thiophene-2-sulfonyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-3-methyl-2-oxo-8-(thiophene-2-sulfonyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

SMILES

CC(C(OC1(CC2)CCN2S(c2cccs2)(=O)=O)=O)=C1C(NCc(cccc1)c1Cl)=O

InChI

InChI=1S/C21H21ClN2O5S2/c1-14-18(19(25)23-13-15-5-2-3-6-16(15)22)21(29-20(14)26)8-10-24(11-9-21)31(27,28)17-7-4-12-30-17/h2-7,12H,8-11,13H2,1H3,(H,23,25)

InChI Key

YUDCLRMBBLXOOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27208935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.99

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.327

Distribution Coefficient, logD

3.327

Water Solubility, LogSw

-3.78

Polar Surface Area

78.015

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G016-0983 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G016-0983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G016-0983?
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What is the minimum amount of G016-0983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G016-0983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G016-0983
  • 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 G016-0983 available by request