1927-8600 Screening compound: 2,4,6-tribromo-3-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol

1927-8600 Screening compound: 2,4,6-tribromo-3-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
1927-8600 Screening compound: 2,4,6-tribromo-3-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1927-8600
2,4,6-tribromo-3-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol

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

1927-8600

Molecular Formula

C18H13Br3N4O2S (C18 H13 Br3 N4 O2 S)

Compound Name

2,4,6-tribromo-3-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol

IUPAC name

246-tribromo-3-[5-(ethylsulfanyl)-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(11)2(7)351214-hexaen-9-yl]phenol

SMILES

CCSc1nnc(-c(cccc2)c2NC(c(c(Br)c(c(Br)c2)O)c2Br)O2)c2n1

InChI

InChI=1S/C18H13Br3N4O2S/c1-2-28-18-23-17-14(24-25-18)8-5-3-4-6-11(8)22-16(27-17)12-9(19)7-10(20)15(26)13(12)21/h3-7,16,22,26H,2H2,1H3/t16-/m0/s1

InChI Key

DOZPBKPNNVFGLJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01018823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

589.1

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.010

Distribution Coefficient, logD

4.655

Water Solubility, LogSw

-5.41

Polar Surface Area

67.777

Acid Dissociation Constant (pKa)

6.06

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

1927-8600 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Frequent Hitters Library (7624 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Pool

References: we are preparing a list of scientific research reports with 1927-8600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1927-8600?
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What is the minimum amount of 1927-8600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1927-8600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1927-8600
  • 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 1927-8600 available by request