1501-0331 Screening compound: N-{2,2,2-trichloro-1-[(morpholine-4-carbothioyl)amino]ethyl}hexanamide

1501-0331 Screening compound: N-{2,2,2-trichloro-1-[(morpholine-4-carbothioyl)amino]ethyl}hexanamide
1501-0331 Screening compound: N-{2,2,2-trichloro-1-[(morpholine-4-carbothioyl)amino]ethyl}hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1501-0331
N-{2,2,2-trichloro-1-[(morpholine-4-carbothioyl)amino]ethyl}hexanamide

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

1501-0331

Molecular Formula

C13H22Cl3N3O2S (C13 H22 Cl3 N3 O2 S)

Compound Name

N-{2,2,2-trichloro-1-[(morpholine-4-carbothioyl)amino]ethyl}hexanamide

IUPAC name

N-{222-trichloro-1-[(morpholine-4-carbothioyl)amino]ethyl}hexanamide

SMILES

CCCCCC(NC(C(Cl)(Cl)Cl)NC(N1CCOCC1)=S)=O

InChI

InChI=1S/C13H22Cl3N3O2S/c1-2-3-4-5-10(20)17-11(13(14,15)16)18-12(22)19-6-8-21-9-7-19/h11H,2-9H2,1H3,(H,17,20)(H,18,22)/t11-/m0/s1

InChI Key

KNTDLMGIWNBELZ-NSHDSACASA-N

MDL Number (MFCD)

MFCD00628270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.910

Distribution Coefficient, logD

2.884

Water Solubility, LogSw

-3.45

Polar Surface Area

43.402

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

84.60

1501-0331 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 1501-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1501-0331?
Check Price and Availability of 1501-0331, 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 1501-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1501-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1501-0331
  • 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 1501-0331 available by request