G278-0297 Screening compound: 5-(3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL)-N-{[4-(METHYLSULFANYL)PHENYL]METHYL}THIOPHENE-2-CARBOXAMIDE

G278-0297 Screening compound: 5-(3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL)-N-{[4-(METHYLSULFANYL)PHENYL]METHYL}THIOPHENE-2-CARBOXAMIDE
G278-0297 Screening compound: 5-(3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL)-N-{[4-(METHYLSULFANYL)PHENYL]METHYL}THIOPHENE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound G278-0297
5-(3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL)-N-{[4-(METHYLSULFANYL)PHENYL]METHYL}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

G278-0297

Molecular Formula

C21H20N2O2S2 (C21 H20 N2 O2 S2)

Compound Name

5-(3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL)-N-{[4-(METHYLSULFANYL)PHENYL]METHYL}THIOPHENE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

CSc1ccc(CNC(c2ccc(N3c(cccc4)c4OCC3)s2)=O)cc1

InChI

InChI=1S/C21H20N2O2S2/c1-26-16-8-6-15(7-9-16)14-22-21(24)19-10-11-20(27-19)23-12-13-25-18-5-3-2-4-17(18)23/h2-11H,12-14H2,1H3,(H,22,24)

InChI Key

UPJQEKYPLKEOLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14993240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.106

Distribution Coefficient, logD

5.106

Water Solubility, LogSw

-4.94

Polar Surface Area

36.090

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G278-0297 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G278-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G278-0297?
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What is the minimum amount of G278-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G278-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G278-0297
  • 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 G278-0297 available by request