G117-0612 Screening compound: 2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1H,2H,3H-thieno[2,3-b][1,4]thiazin-1-yl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

G117-0612 Screening compound: 2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1H,2H,3H-thieno[2,3-b][1,4]thiazin-1-yl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide
G117-0612 Screening compound: 2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1H,2H,3H-thieno[2,3-b][1,4]thiazin-1-yl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G117-0612
2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1H,2H,3H-thieno[2,3-b][1,4]thiazin-1-yl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

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

G117-0612

Molecular Formula

C22H27N3O5S3 (C22 H27 N3 O5 S3)

Compound Name

2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1H,2H,3H-thieno[2,3-b][1,4]thiazin-1-yl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

IUPAC name

2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1H2H3H-thieno[23-b][14]thiazin-1-yl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

SMILES

CC(C)Oc1ccc(CNC(CN(c(cc(s2)S(N3CCCC3)(=O)=O)c2SC2)C2=O)=O)cc1

InChI

InChI=1S/C22H27N3O5S3/c1-15(2)30-17-7-5-16(6-8-17)12-23-19(26)13-25-18-11-21(32-22(18)31-14-20(25)27)33(28,29)24-9-3-4-10-24/h5-8,11,15H,3-4,9-10,12-14H2,1-2H3,(H,23,26)

InChI Key

TWOHGKSLAFRQJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14981041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.048

Distribution Coefficient, logD

3.048

Water Solubility, LogSw

-3.54

Polar Surface Area

79.988

Acid Dissociation Constant (pKa)

13.98

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

G117-0612 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G117-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G117-0612?
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What is the minimum amount of G117-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G117-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G117-0612
  • 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 G117-0612 available by request