1504-0166 Screening compound: 4-tert-butyl-N-[2,2,2-trichloro-1-(morpholin-4-yl)ethyl]benzamide

1504-0166 Screening compound: 4-tert-butyl-N-[2,2,2-trichloro-1-(morpholin-4-yl)ethyl]benzamide
1504-0166 Screening compound: 4-tert-butyl-N-[2,2,2-trichloro-1-(morpholin-4-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1504-0166
4-tert-butyl-N-[2,2,2-trichloro-1-(morpholin-4-yl)ethyl]benzamide

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

1504-0166

Molecular Formula

C17H23Cl3N2O2 (C17 H23 Cl3 N2 O2)

Compound Name

4-tert-butyl-N-[2,2,2-trichloro-1-(morpholin-4-yl)ethyl]benzamide

IUPAC name

4-tert-butyl-N-[222-trichloro-1-(morpholin-4-yl)ethyl]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(NC(C(Cl)(Cl)Cl)N1CCOCC1)=O

InChI

InChI=1S/C17H23Cl3N2O2/c1-16(2,3)13-6-4-12(5-7-13)14(23)21-15(17(18,19)20)22-8-10-24-11-9-22/h4-7,15H,8-11H2,1-3H3,(H,21,23)/t15-/m0/s1

InChI Key

CGGLZNCFRUEMFP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00620312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.74

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.353

Distribution Coefficient, logD

4.253

Water Solubility, LogSw

-4.49

Polar Surface Area

34.406

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

1504-0166 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 1504-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1504-0166?
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What is the minimum amount of 1504-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1504-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1504-0166
  • 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 1504-0166 available by request