1189-0393 Screening compound: N-[{2,6-bis[(dimethylamino)methyl]phenyl}(methoxy)phosphorothioyl]-N-[2,4,6-tri(tert-butyl)phenyl]amine

1189-0393 Screening compound: N-[{2,6-bis[(dimethylamino)methyl]phenyl}(methoxy)phosphorothioyl]-N-[2,4,6-tri(tert-butyl)phenyl]amine
1189-0393 Screening compound: N-[{2,6-bis[(dimethylamino)methyl]phenyl}(methoxy)phosphorothioyl]-N-[2,4,6-tri(tert-butyl)phenyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1189-0393
N-[{2,6-bis[(dimethylamino)methyl]phenyl}(methoxy)phosphorothioyl]-N-[2,4,6-tri(tert-butyl)phenyl]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

1189-0393

Molecular Formula

C31H52N3OPS (C31 H52 N3 OPS)

Compound Name

N-[{2,6-bis[(dimethylamino)methyl]phenyl}(methoxy)phosphorothioyl]-N-[2,4,6-tri(tert-butyl)phenyl]amine

IUPAC name

{26-bis[(dimethylamino)methyl]phenyl}(methoxy)[(246-tri-tert-butylphenyl)amino]-lambda5-phosphanethione

SMILES

CC(C)(C)c(cc1C(C)(C)C)cc(C(C)(C)C)c1NP(c1c(CN(C)C)cccc1CN(C)C)(OC)=S

InChI

InChI=1S/C31H52N3OPS/c1-29(2,3)24-18-25(30(4,5)6)27(26(19-24)31(7,8)9)32-36(37,35-14)28-22(20-33(10)11)16-15-17-23(28)21-34(12)13/h15-19H,20-21H2,1-14H3,(H,32,37)/t36-/m0/s1

InChI Key

LJYRUUFUPXLWHC-BHVANESWSA-N

MDL Number (MFCD)

MFCD00266857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.057

Distribution Coefficient, logD

5.152

Water Solubility, LogSw

-5.87

Polar Surface Area

25.008

Acid Dissociation Constant (pKa)

21.35

Base Dissociation Constant (pKb)

10.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.30

1189-0393 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1189-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1189-0393?
Check Price and Availability of 1189-0393, 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 1189-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1189-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1189-0393
  • 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 1189-0393 available by request