0149-0076 Screening compound: bis[2,6-di-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]phosphinous acid

0149-0076 Screening compound: bis[2,6-di-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]phosphinous acid
0149-0076 Screening compound: bis[2,6-di-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]phosphinous acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0149-0076
bis[2,6-di-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]phosphinous acid

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

0149-0076

Molecular Formula

C36H55O7P (C36 H55 O7 P)

Compound Name

bis[2,6-di-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]phosphinous acid

IUPAC name

bis[26-di-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]phosphinous acid

SMILES

CC(C)(C)c1cc(CCC(OC)=O)cc(C(C)(C)C)c1OP(O)Oc1c(C(C)(C)C)cc(CCC(OC)=O)cc1C(C)(C)C

InChI

InChI=1S/C36H55O7P/c1-33(2,3)25-19-23(15-17-29(37)40-13)20-26(34(4,5)6)31(25)42-44(39)43-32-27(35(7,8)9)21-24(16-18-30(38)41-14)22-28(32)36(10,11)12/h19-22,39H,15-18H2,1-14H3

InChI Key

UDMBFVBWNXMIGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00318502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

630.8

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

9.251

Distribution Coefficient, logD

9.223

Water Solubility, LogSw

-5.73

Polar Surface Area

72.734

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

0149-0076 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0149-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0149-0076?
Check Price and Availability of 0149-0076, 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 0149-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0149-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0149-0076
  • 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 0149-0076 available by request