0136-0190 Screening compound: 4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]-6-methylphenyl acetate

0136-0190 Screening compound: 4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]-6-methylphenyl acetate
0136-0190 Screening compound: 4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]-6-methylphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0136-0190
4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]-6-methylphenyl acetate

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

0136-0190

Molecular Formula

C16H12Cl2N2O5 (C16 H12 Cl2 N2 O5)

Compound Name

4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]-6-methylphenyl acetate

IUPAC name

4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]-6-methylphenyl acetate

SMILES

CC(Oc(c(C)cc(Cl)c1)c1C(Nc(ccc([N+]([O-])=O)c1)c1Cl)=O)=O

InChI

InChI=1S/C16H12Cl2N2O5/c1-8-5-10(17)6-12(15(8)25-9(2)21)16(22)19-14-4-3-11(20(23)24)7-13(14)18/h3-7H,1-2H3,(H,19,22)

InChI Key

SJBCEYUECWKTOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00601830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.19

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.523

Distribution Coefficient, logD

1.334

Water Solubility, LogSw

-4.65

Polar Surface Area

76.938

Acid Dissociation Constant (pKa)

4.21

Base Dissociation Constant (pKb)

-7.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0136-0190 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Frequent Hitters Library (7624 compounds)

Human GPCR Annotated Library (5539 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0136-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0136-0190?
Check Price and Availability of 0136-0190, 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 0136-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0136-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0136-0190
  • 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 0136-0190 available by request