G207-0679 Screening compound: N~4~-[(1-ethyl-2-pyrrolidinyl)methyl]-1-[5-(4-isopropylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidinecarboxamide

G207-0679 Screening compound: N~4~-[(1-ethyl-2-pyrrolidinyl)methyl]-1-[5-(4-isopropylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidinecarboxamide
G207-0679 Screening compound: N~4~-[(1-ethyl-2-pyrrolidinyl)methyl]-1-[5-(4-isopropylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G207-0679
N~4~-[(1-ethyl-2-pyrrolidinyl)methyl]-1-[5-(4-isopropylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidinecarboxamide

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

G207-0679

Molecular Formula

C26H38N4O3S (C26 H38 N4 O3 S)

Compound Name

N~4~-[(1-ethyl-2-pyrrolidinyl)methyl]-1-[5-(4-isopropylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidinecarboxamide

IUPAC name

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-{4-methyl-11-dioxo-5-[4-(propan-2-yl)phenyl]-1lambda62-thiazol-3-yl}piperidine-4-carboxamide

SMILES

CCN1C(CNC(C(CC2)CCN2C(C(C)=C2c3ccc(C(C)C)cc3)=NS2(=O)=O)=O)CCC1

InChI

InChI=1S/C26H38N4O3S/c1-5-29-14-6-7-23(29)17-27-26(31)22-12-15-30(16-13-22)25-19(4)24(34(32,33)28-25)21-10-8-20(9-11-21)18(2)3/h8-11,18,22-23H,5-7,12-17H2,1-4H3,(H,27,31)/t23-/m1/s1

InChI Key

JWBLVHYLRGETJF-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14985992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.604

Distribution Coefficient, logD

2.340

Water Solubility, LogSw

-3.49

Polar Surface Area

71.450

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

8.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.50

G207-0679 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with G207-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G207-0679?
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What is the minimum amount of G207-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G207-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G207-0679
  • 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 G207-0679 available by request