0933-0060 Screening compound: 2-[(diisobutylamino)carbonyl]phenyl hydrogen [(diisobutylamino)methyl]phosphonate

0933-0060 Screening compound: 2-[(diisobutylamino)carbonyl]phenyl hydrogen [(diisobutylamino)methyl]phosphonate
0933-0060 Screening compound: 2-[(diisobutylamino)carbonyl]phenyl hydrogen [(diisobutylamino)methyl]phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0933-0060
2-[(diisobutylamino)carbonyl]phenyl hydrogen [(diisobutylamino)methyl]phosphonate

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

0933-0060

Molecular Formula

C24H43N2O4P (C24 H43 N2 O4 P)

Compound Name

2-[(diisobutylamino)carbonyl]phenyl hydrogen [(diisobutylamino)methyl]phosphonate

IUPAC name

{[bis(2-methylpropyl)amino]methyl}({2-[bis(2-methylpropyl)carbamoyl]phenoxy})phosphinic acid

SMILES

CC(C)CN(CC(C)C)CP(O)(Oc(cccc1)c1C(N(CC(C)C)CC(C)C)=O)=O

InChI

InChI=1S/C24H43N2O4P/c1-18(2)13-25(14-19(3)4)17-31(28,29)30-23-12-10-9-11-22(23)24(27)26(15-20(5)6)16-21(7)8/h9-12,18-21H,13-17H2,1-8H3,(H,28,29)

InChI Key

GHPUSSHSLFZONV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01534405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.979

Distribution Coefficient, logD

-0.986

Water Solubility, LogSw

-4.64

Polar Surface Area

56.644

Acid Dissociation Constant (pKa)

1.43

Base Dissociation Constant (pKb)

8.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.83

0933-0060 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 0933-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0933-0060?
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What is the minimum amount of 0933-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0933-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0933-0060
  • 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 0933-0060 available by request