1187-0146 Screening compound: N-{2,2,2-trichloro-1-[6-(morpholin-4-yl)-9H-purin-9-yl]ethyl}formamide

1187-0146 Screening compound: N-{2,2,2-trichloro-1-[6-(morpholin-4-yl)-9H-purin-9-yl]ethyl}formamide
1187-0146 Screening compound: N-{2,2,2-trichloro-1-[6-(morpholin-4-yl)-9H-purin-9-yl]ethyl}formamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-0146
N-{2,2,2-trichloro-1-[6-(morpholin-4-yl)-9H-purin-9-yl]ethyl}formamide

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

1187-0146

Molecular Formula

C12H13Cl3N6O2 (C12 H13 Cl3 N6 O2)

Compound Name

N-{2,2,2-trichloro-1-[6-(morpholin-4-yl)-9H-purin-9-yl]ethyl}formamide

IUPAC name

N-{222-trichloro-1-[6-(morpholin-4-yl)-9H-purin-9-yl]ethyl}formamide

SMILES

O=CNC(C(Cl)(Cl)Cl)n1c2ncnc(N3CCOCC3)c2nc1

InChI

InChI=1S/C12H13Cl3N6O2/c13-12(14,15)11(19-7-22)21-6-18-8-9(16-5-17-10(8)21)20-1-3-23-4-2-20/h5-7,11H,1-4H2,(H,19,22)/t11-/m0/s1

InChI Key

LVUIFVWYJDJTSK-NSHDSACASA-N

MDL Number (MFCD)

MFCD00496820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.851

Distribution Coefficient, logD

1.850

Water Solubility, LogSw

-2.46

Polar Surface Area

67.880

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

1187-0146 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1187-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-0146?
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What is the minimum amount of 1187-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-0146
  • 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 1187-0146 available by request