8018-6801 Screening compound: 2,4-dichloro-6-(4,4-diethyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)phenol

8018-6801 Screening compound: 2,4-dichloro-6-(4,4-diethyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)phenol
8018-6801 Screening compound: 2,4-dichloro-6-(4,4-diethyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6801
2,4-dichloro-6-(4,4-diethyl-2,4-dihydro-1H-3,1-benzoxazin-2-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

8018-6801

Molecular Formula

C18H19Cl2NO2 (C18 H19 Cl2 NO2)

Compound Name

2,4-dichloro-6-(4,4-diethyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)phenol

IUPAC name

24-dichloro-6-(44-diethyl-24-dihydro-1H-31-benzoxazin-2-yl)phenol

SMILES

CCC1(CC)OC(c2cc(Cl)cc(Cl)c2O)Nc2c1cccc2

InChI

InChI=1S/C18H19Cl2NO2/c1-3-18(4-2)13-7-5-6-8-15(13)21-17(23-18)12-9-11(19)10-14(20)16(12)22/h5-10,17,21-22H,3-4H2,1-2H3/t17-/m0/s1

InChI Key

ZOUTWXHUFJXHHG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD08142427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.26

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.892

Distribution Coefficient, logD

5.819

Water Solubility, LogSw

-5.63

Polar Surface Area

35.769

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8018-6801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6801?
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What is the minimum amount of 8018-6801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6801
  • 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 8018-6801 available by request