1575-0008 Screening compound: ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(diphenylphosphoroso)propanoate

1575-0008 Screening compound: ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(diphenylphosphoroso)propanoate
1575-0008 Screening compound: ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(diphenylphosphoroso)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1575-0008
ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(diphenylphosphoroso)propanoate

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

1575-0008

Molecular Formula

C31H39O4P (C31 H39 O4 P)

Compound Name

ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(diphenylphosphoroso)propanoate

IUPAC name

ethyl 3-(35-di-tert-butyl-4-hydroxyphenyl)-3-(diphenylphosphoroso)propanoate

SMILES

CCOC(CC(c(cc1C(C)(C)C)cc(C(C)(C)C)c1O)P(c1ccccc1)(c1ccccc1)=O)=O

InChI

InChI=1S/C31H39O4P/c1-8-35-28(32)21-27(22-19-25(30(2,3)4)29(33)26(20-22)31(5,6)7)36(34,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-20,27,33H,8,21H2,1-7H3/t27-/m0/s1

InChI Key

VUYPTFOSYMRDFP-MHZLTWQESA-N

MDL Number (MFCD)

MFCD00317143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.748

Distribution Coefficient, logD

7.748

Water Solubility, LogSw

-5.68

Polar Surface Area

46.893

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.70

1575-0008 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 1575-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1575-0008?
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What is the minimum amount of 1575-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1575-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1575-0008
  • 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 1575-0008 available by request