0330-0160 Screening compound: 1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl N-(3,4-dichlorophenyl)carbamate

0330-0160 Screening compound: 1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl N-(3,4-dichlorophenyl)carbamate
0330-0160 Screening compound: 1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl N-(3,4-dichlorophenyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0330-0160
1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl N-(3,4-dichlorophenyl)carbamate

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

0330-0160

Molecular Formula

C17H10Cl7NO3 (C17 H10 Cl7 NO3)

Compound Name

1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl N-(3,4-dichlorophenyl)carbamate

IUPAC name

111-trichloro-4-(24-dichlorophenyl)-4-oxobutan-2-yl N-(34-dichlorophenyl)carbamate

SMILES

O=C(CC(C(Cl)(Cl)Cl)OC(Nc(cc1)cc(Cl)c1Cl)=O)c(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C17H10Cl7NO3/c18-8-1-3-10(12(20)5-8)14(26)7-15(17(22,23)24)28-16(27)25-9-2-4-11(19)13(21)6-9/h1-6,15H,7H2,(H,25,27)/t15-/m0/s1

InChI Key

BMMHXDVBSJNNKF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00356166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.887

Distribution Coefficient, logD

7.859

Water Solubility, LogSw

-6.92

Polar Surface Area

44.206

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 0330-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0330-0160?
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What is the minimum amount of 0330-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0330-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0330-0160
  • 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 0330-0160 available by request