6732-0029 Screening compound: dipropyl [(1H-indol-3-yl)[(4-nitrophenyl)amino]methyl]phosphonate

6732-0029 Screening compound: dipropyl [(1H-indol-3-yl)[(4-nitrophenyl)amino]methyl]phosphonate
6732-0029 Screening compound: dipropyl [(1H-indol-3-yl)[(4-nitrophenyl)amino]methyl]phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6732-0029
dipropyl [(1H-indol-3-yl)[(4-nitrophenyl)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

6732-0029

Molecular Formula

C21H26N3O5P (C21 H26 N3 O5 P)

Compound Name

dipropyl [(1H-indol-3-yl)[(4-nitrophenyl)amino]methyl]phosphonate

IUPAC name

dipropyl [(1H-indol-3-yl)[(4-nitrophenyl)amino]methyl]phosphonate

SMILES

CCCOP(C(c1c[nH]c2c1cccc2)Nc(cc1)ccc1[N+]([O-])=O)(OCCC)=O

InChI

InChI=1S/C21H26N3O5P/c1-3-13-28-30(27,29-14-4-2)21(19-15-22-20-8-6-5-7-18(19)20)23-16-9-11-17(12-10-16)24(25)26/h5-12,15,21-23H,3-4,13-14H2,1-2H3/t21-/m0/s1

InChI Key

SWKGUIJHMBXMIC-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01908719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.580

Distribution Coefficient, logD

4.580

Water Solubility, LogSw

-4.32

Polar Surface Area

83.955

Acid Dissociation Constant (pKa)

15.26

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

6732-0029 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6732-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6732-0029?
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What is the minimum amount of 6732-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6732-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6732-0029
  • 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 6732-0029 available by request