0319-0008 Screening compound: 3,3-dimethyl-1-{2,2,2-trichloro-1-[(4-chlorophenyl)amino]ethyl}urea

0319-0008 Screening compound: 3,3-dimethyl-1-{2,2,2-trichloro-1-[(4-chlorophenyl)amino]ethyl}urea
0319-0008 Screening compound: 3,3-dimethyl-1-{2,2,2-trichloro-1-[(4-chlorophenyl)amino]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 0319-0008
3,3-dimethyl-1-{2,2,2-trichloro-1-[(4-chlorophenyl)amino]ethyl}urea

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

0319-0008

Molecular Formula

C11H13Cl4N3O (C11 H13 Cl4 N3 O)

Compound Name

3,3-dimethyl-1-{2,2,2-trichloro-1-[(4-chlorophenyl)amino]ethyl}urea

IUPAC name

33-dimethyl-1-{222-trichloro-1-[(4-chlorophenyl)amino]ethyl}urea

SMILES

CN(C)C(NC(C(Cl)(Cl)Cl)Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C11H13Cl4N3O/c1-18(2)10(19)17-9(11(13,14)15)16-8-5-3-7(12)4-6-8/h3-6,9,16H,1-2H3,(H,17,19)/t9-/m1/s1

InChI Key

BTFHIAOMBTXHSI-SECBINFHSA-N

MDL Number (MFCD)

MFCD00225552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.05

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.404

Distribution Coefficient, logD

3.401

Water Solubility, LogSw

-3.88

Polar Surface Area

35.180

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

0319-0008 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 0319-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0319-0008?
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What is the minimum amount of 0319-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0319-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0319-0008
  • 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 0319-0008 available by request