Y010-1602 Screening compound: 1-[6-(6-chloro-1,3-benzodioxol-5-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone

Y010-1602 Screening compound: 1-[6-(6-chloro-1,3-benzodioxol-5-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone
Y010-1602 Screening compound: 1-[6-(6-chloro-1,3-benzodioxol-5-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1602
1-[6-(6-chloro-1,3-benzodioxol-5-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone

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

Y010-1602

Molecular Formula

C20H15ClN4O4S (C20 H15 ClN4 O4 S)

Compound Name

1-[6-(6-chloro-1,3-benzodioxol-5-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone

IUPAC name

1-[9-(6-chloro-2H-13-benzodioxol-5-yl)-5-(methylsulfanyl)-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(15)2(7)351113-hexaen-10-yl]ethan-1-one

SMILES

CC(N(C(c(cc1OCOc1c1)c1Cl)Oc1n2)c(cccc3)c3-c1nnc2SC)=O

InChI

InChI=1S/C20H15ClN4O4S/c1-10(26)25-14-6-4-3-5-11(14)17-18(22-20(30-2)24-23-17)29-19(25)12-7-15-16(8-13(12)21)28-9-27-15/h3-8,19H,9H2,1-2H3/t19-/m0/s1

InChI Key

MAWFODRPKQDLHN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02376427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.88

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.570

Distribution Coefficient, logD

3.570

Water Solubility, LogSw

-3.90

Polar Surface Area

71.755

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with Y010-1602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1602?
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What is the minimum amount of Y010-1602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1602
  • 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 Y010-1602 available by request