1390-0030 Screening compound: diethyl [(5-bromo-2-hydroxyphenyl)[(4-bromophenyl)amino]methyl]phosphonate

1390-0030 Screening compound: diethyl [(5-bromo-2-hydroxyphenyl)[(4-bromophenyl)amino]methyl]phosphonate
1390-0030 Screening compound: diethyl [(5-bromo-2-hydroxyphenyl)[(4-bromophenyl)amino]methyl]phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1390-0030
diethyl [(5-bromo-2-hydroxyphenyl)[(4-bromophenyl)amino]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

1390-0030

Molecular Formula

C17H20Br2NO4P (C17 H20 Br2 NO4 P)

Compound Name

diethyl [(5-bromo-2-hydroxyphenyl)[(4-bromophenyl)amino]methyl]phosphonate

IUPAC name

diethyl [(5-bromo-2-hydroxyphenyl)[(4-bromophenyl)amino]methyl]phosphonate

SMILES

CCOP(C(c(cc(cc1)Br)c1O)Nc(cc1)ccc1Br)(OCC)=O

InChI

InChI=1S/C17H20Br2NO4P/c1-3-23-25(22,24-4-2)17(15-11-13(19)7-10-16(15)21)20-14-8-5-12(18)6-9-14/h5-11,17,20-21H,3-4H2,1-2H3/t17-/m0/s1

InChI Key

DYIJSEORYDEJDZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01203715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.13

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.136

Distribution Coefficient, logD

5.135

Water Solubility, LogSw

-5.06

Polar Surface Area

56.663

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

1390-0030 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1390-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1390-0030?
Check Price and Availability of 1390-0030, 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 1390-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1390-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1390-0030
  • 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 1390-0030 available by request