1189-0395 Screening compound: N-(tert-butyl)-N-[1-methoxy-1-{[2,4,6-tri(tert-butyl)phenyl]imino}-1-(2,4,6-triisopropylphenyl)phosphoranyl]amine

1189-0395 Screening compound: N-(tert-butyl)-N-[1-methoxy-1-{[2,4,6-tri(tert-butyl)phenyl]imino}-1-(2,4,6-triisopropylphenyl)phosphoranyl]amine
1189-0395 Screening compound: N-(tert-butyl)-N-[1-methoxy-1-{[2,4,6-tri(tert-butyl)phenyl]imino}-1-(2,4,6-triisopropylphenyl)phosphoranyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1189-0395
N-(tert-butyl)-N-[1-methoxy-1-{[2,4,6-tri(tert-butyl)phenyl]imino}-1-(2,4,6-triisopropylphenyl)phosphoranyl]amine

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

1189-0395

Molecular Formula

C38H65N2OP (C38 H65 N2 OP)

Compound Name

N-(tert-butyl)-N-[1-methoxy-1-{[2,4,6-tri(tert-butyl)phenyl]imino}-1-(2,4,6-triisopropylphenyl)phosphoranyl]amine

IUPAC name

tert-butyl({methoxy[(246-tri-tert-butylphenyl)imino][246-tris(propan-2-yl)phenyl]-lambda5-phosphanyl})amine

SMILES

CC(C)c(cc1C(C)C)cc(C(C)C)c1P(NC(C)(C)C)(OC)=Nc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C

InChI

InChI=1S/C38H65N2OP/c1-24(2)27-20-29(25(3)4)34(30(21-27)26(5)6)42(41-19,40-38(16,17)18)39-33-31(36(10,11)12)22-28(35(7,8)9)23-32(33)37(13,14)15/h20-26,40H,1-19H3/t42-/m1/s1

InChI Key

XNPCMUZVDGJSLI-HUESYALOSA-N

MDL Number (MFCD)

MFCD00266861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

596.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

12.456

Distribution Coefficient, logD

8.327

Water Solubility, LogSw

-5.90

Polar Surface Area

24.946

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

11.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.40

1189-0395 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 1189-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1189-0395?
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What is the minimum amount of 1189-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1189-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1189-0395
  • 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 1189-0395 available by request