G278-1161 Screening compound: N-[(4-butoxyphenyl)methyl]-5-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)thiophene-2-carboxamide

G278-1161 Screening compound: N-[(4-butoxyphenyl)methyl]-5-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)thiophene-2-carboxamide
G278-1161 Screening compound: N-[(4-butoxyphenyl)methyl]-5-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G278-1161
N-[(4-butoxyphenyl)methyl]-5-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-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

G278-1161

Molecular Formula

C24H25ClN2O3S (C24 H25 ClN2 O3 S)

Compound Name

N-[(4-butoxyphenyl)methyl]-5-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)thiophene-2-carboxamide

IUPAC name

N-[(4-butoxyphenyl)methyl]-5-(6-chloro-34-dihydro-2H-14-benzoxazin-4-yl)thiophene-2-carboxamide

SMILES

CCCCOc1ccc(CNC(c2ccc(N3c(cc(cc4)Cl)c4OCC3)s2)=O)cc1

InChI

InChI=1S/C24H25ClN2O3S/c1-2-3-13-29-19-7-4-17(5-8-19)16-26-24(28)22-10-11-23(31-22)27-12-14-30-21-9-6-18(25)15-20(21)27/h4-11,15H,2-3,12-14,16H2,1H3,(H,26,28)

InChI Key

XEQCQIULCBGSFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14993282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.99

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.434

Distribution Coefficient, logD

6.434

Water Solubility, LogSw

-6.19

Polar Surface Area

43.508

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

G278-1161 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 G278-1161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G278-1161?
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What is the minimum amount of G278-1161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G278-1161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G278-1161
  • 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 G278-1161 available by request