C302-0036 Screening compound: methyl 10-ethyl-6-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate

C302-0036 Screening compound: methyl 10-ethyl-6-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate
C302-0036 Screening compound: methyl 10-ethyl-6-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C302-0036
methyl 10-ethyl-6-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-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

C302-0036

Molecular Formula

C16H20N2O4S (C16 H20 N2 O4 S)

Compound Name

methyl 10-ethyl-6-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate

IUPAC name

methyl 10-ethyl-6-methoxy-9-methyl-11-sulfanylidene-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-13-carboxylate

SMILES

CCN(C(C)(C(C1N2)C(OC)=O)Oc3c1cccc3OC)C2=S

InChI

InChI=1S/C16H20N2O4S/c1-5-18-15(23)17-12-9-7-6-8-10(20-3)13(9)22-16(18,2)11(12)14(19)21-4/h6-8,11-12H,5H2,1-4H3,(H,17,23)

InChI Key

DIEMYJGTBZSYDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.594

Distribution Coefficient, logD

2.594

Water Solubility, LogSw

-3.06

Polar Surface Area

49.609

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C302-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C302-0036?
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What is the minimum amount of C302-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C302-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C302-0036
  • 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 C302-0036 available by request