0672-0267 Screening compound: 2-[(4-chloroanilino)(4-hydroxyphenyl)methyl]-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinane-2-thione

0672-0267 Screening compound: 2-[(4-chloroanilino)(4-hydroxyphenyl)methyl]-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinane-2-thione
0672-0267 Screening compound: 2-[(4-chloroanilino)(4-hydroxyphenyl)methyl]-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinane-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0672-0267
2-[(4-chloroanilino)(4-hydroxyphenyl)methyl]-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinane-2-thione

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

0672-0267

Molecular Formula

C18H21ClNO3PS (C18 H21 ClNO3 PS)

Compound Name

2-[(4-chloroanilino)(4-hydroxyphenyl)methyl]-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinane-2-thione

IUPAC name

2-{[(4-chlorophenyl)amino](4-hydroxyphenyl)methyl}-55-dimethyl-132lambda5-dioxaphosphinane-2-thione

SMILES

CC(C)(CO1)COP1(C(c(cc1)ccc1O)Nc(cc1)ccc1Cl)=S

InChI

InChI=1S/C18H21ClNO3PS/c1-18(2)11-22-24(25,23-12-18)17(13-3-9-16(21)10-4-13)20-15-7-5-14(19)6-8-15/h3-10,17,20-21H,11-12H2,1-2H3/t17-/m0/s1

InChI Key

ZXBDRWVBQXTAAL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03826455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.312

Distribution Coefficient, logD

5.310

Water Solubility, LogSw

-5.99

Polar Surface Area

42.238

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

0672-0267 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0672-0267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0672-0267?
Check Price and Availability of 0672-0267, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0672-0267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0672-0267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0672-0267
  • 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 0672-0267 available by request