C800-0522 Screening compound: methyl 2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxylate

C800-0522 Screening compound: methyl 2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxylate
C800-0522 Screening compound: methyl 2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0522
methyl 2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-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

C800-0522

Molecular Formula

C13H13NO2S (C13 H13 NO2 S)

Compound Name

methyl 2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxylate

IUPAC name

methyl 10-methyl-9-thia-1-azatricyclo[6.3.1.0^{412}]dodeca-24(12)57-tetraene-2-carboxylate

SMILES

CC(C1)Sc2c3n1c(C(OC)=O)cc3ccc2

InChI

InChI=1S/C13H13NO2S/c1-8-7-14-10(13(15)16-2)6-9-4-3-5-11(17-8)12(9)14/h3-6,8H,7H2,1-2H3/t8-/m0/s1

InChI Key

MYEZLOPTMSYOED-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD14799752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.914

Distribution Coefficient, logD

2.914

Water Solubility, LogSw

-3.42

Polar Surface Area

21.163

Acid Dissociation Constant (pKa)

26.50

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

References: we are preparing a list of scientific research reports with C800-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0522?
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What is the minimum amount of C800-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0522
  • 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 C800-0522 available by request