G599-0101 Screening compound: ethyl 10-[2-(4-ethoxyanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

G599-0101 Screening compound: ethyl 10-[2-(4-ethoxyanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
G599-0101 Screening compound: ethyl 10-[2-(4-ethoxyanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G599-0101
ethyl 10-[2-(4-ethoxyanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

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

G599-0101

Molecular Formula

C26H24N2O5S (C26 H24 N2 O5 S)

Compound Name

ethyl 10-[2-(4-ethoxyanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

IUPAC name

ethyl 9-{[(4-ethoxyphenyl)carbamoyl]methyl}-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxylate

SMILES

CCOC(c(cc1)cc(N2CC(Nc(cc3)ccc3OCC)=O)c1Sc(cccc1)c1C2=O)=O

InChI

InChI=1S/C26H24N2O5S/c1-3-32-19-12-10-18(11-13-19)27-24(29)16-28-21-15-17(26(31)33-4-2)9-14-23(21)34-22-8-6-5-7-20(22)25(28)30/h5-15H,3-4,16H2,1-2H3,(H,27,29)

InChI Key

UZXAIFQHXNGCOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27145738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.603

Distribution Coefficient, logD

5.603

Water Solubility, LogSw

-5.34

Polar Surface Area

66.427

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.23

References: we are preparing a list of scientific research reports with G599-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G599-0101?
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What is the minimum amount of G599-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G599-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G599-0101
  • 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 G599-0101 available by request