1309-0775 Screening compound: N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)heptanamide

1309-0775 Screening compound: N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)heptanamide
1309-0775 Screening compound: N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)heptanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-0775
N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)heptanamide

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

1309-0775

Molecular Formula

C16H21Cl3N4O3S (C16 H21 Cl3 N4 O3 S)

Compound Name

N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)heptanamide

IUPAC name

N-(222-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)heptanamide

SMILES

CCCCCCC(NC(C(Cl)(Cl)Cl)NC(Nc1cc([N+]([O-])=O)ccc1)=S)=O

InChI

InChI=1S/C16H21Cl3N4O3S/c1-2-3-4-5-9-13(24)21-14(16(17,18)19)22-15(27)20-11-7-6-8-12(10-11)23(25)26/h6-8,10,14H,2-5,9H2,1H3,(H,21,24)(H2,20,22,27)/t14-/m0/s1

InChI Key

FOWMOMRQESHFAI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00361097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.79

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.059

Distribution Coefficient, logD

4.962

Water Solubility, LogSw

-5.09

Polar Surface Area

76.799

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

-3.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

1309-0775 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 1309-0775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-0775?
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What is the minimum amount of 1309-0775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-0775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-0775
  • 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 1309-0775 available by request