G220-0119 Screening compound: 5-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)thiophene-2-carboxamide

G220-0119 Screening compound: 5-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)thiophene-2-carboxamide
G220-0119 Screening compound: 5-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G220-0119
5-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)thiophene-2-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

G220-0119

Molecular Formula

C23H24N2OS2 (C23 H24 N2 OS2)

Compound Name

5-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)thiophene-2-carboxamide

IUPAC name

5-(34-dihydro-2H-14-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)thiophene-2-carboxamide

SMILES

CC(CCc1ccccc1)NC(c1ccc(N2c(cccc3)c3SCC2)s1)=O

InChI

InChI=1S/C23H24N2OS2/c1-17(11-12-18-7-3-2-4-8-18)24-23(26)21-13-14-22(28-21)25-15-16-27-20-10-6-5-9-19(20)25/h2-10,13-14,17H,11-12,15-16H2,1H3,(H,24,26)/t17-/m0/s1

InChI Key

REHKGLYDLFBMCB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14988396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.659

Distribution Coefficient, logD

5.659

Water Solubility, LogSw

-5.35

Polar Surface Area

27.580

Acid Dissociation Constant (pKa)

15.23

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

G220-0119 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G220-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G220-0119?
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What is the minimum amount of G220-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G220-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G220-0119
  • 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 G220-0119 available by request