8017-9883 Screening compound: 2-(5-iodo-2-thienyl)-4,4-diphenyl-1,4-dihydro-2H-3,1-benzoxazine

8017-9883 Screening compound: 2-(5-iodo-2-thienyl)-4,4-diphenyl-1,4-dihydro-2H-3,1-benzoxazine
8017-9883 Screening compound: 2-(5-iodo-2-thienyl)-4,4-diphenyl-1,4-dihydro-2H-3,1-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9883
2-(5-iodo-2-thienyl)-4,4-diphenyl-1,4-dihydro-2H-3,1-benzoxazine

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

8017-9883

Molecular Formula

C24H18INOS (C24 H18 INOS)

Compound Name

2-(5-iodo-2-thienyl)-4,4-diphenyl-1,4-dihydro-2H-3,1-benzoxazine

IUPAC name

2-(5-iodothiophen-2-yl)-44-diphenyl-24-dihydro-1H-31-benzoxazine

SMILES

Ic1ccc(C2OC(c3ccccc3)(c3ccccc3)c(cccc3)c3N2)s1

InChI

InChI=1S/C24H18INOS/c25-22-16-15-21(28-22)23-26-20-14-8-7-13-19(20)24(27-23,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16,23,26H/t23-/m0/s1

InChI Key

HOXJMDABIKJQIV-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD07021689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.38

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.178

Distribution Coefficient, logD

7.178

Water Solubility, LogSw

-6.35

Polar Surface Area

20.280

Acid Dissociation Constant (pKa)

19.44

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.33

References: we are preparing a list of scientific research reports with 8017-9883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9883?
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What is the minimum amount of 8017-9883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9883
  • 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 8017-9883 available by request