0711-0167 Screening compound: 4-chloro-N-{2-[1-(4-chloro-3-nitrophenyl)-N-(2-methylphenyl)formamido]ethyl}-N-(2-methylphenyl)-3-nitrobenzamide

0711-0167 Screening compound: 4-chloro-N-{2-[1-(4-chloro-3-nitrophenyl)-N-(2-methylphenyl)formamido]ethyl}-N-(2-methylphenyl)-3-nitrobenzamide
0711-0167 Screening compound: 4-chloro-N-{2-[1-(4-chloro-3-nitrophenyl)-N-(2-methylphenyl)formamido]ethyl}-N-(2-methylphenyl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0711-0167
4-chloro-N-{2-[1-(4-chloro-3-nitrophenyl)-N-(2-methylphenyl)formamido]ethyl}-N-(2-methylphenyl)-3-nitrobenzamide

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

0711-0167

Molecular Formula

C30H24Cl2N4O6 (C30 H24 Cl2 N4 O6)

Compound Name

4-chloro-N-{2-[1-(4-chloro-3-nitrophenyl)-N-(2-methylphenyl)formamido]ethyl}-N-(2-methylphenyl)-3-nitrobenzamide

IUPAC name

4-chloro-N-{2-[1-(4-chloro-3-nitrophenyl)-N-(2-methylphenyl)formamido]ethyl}-N-(2-methylphenyl)-3-nitrobenzamide

SMILES

Cc(cccc1)c1N(CCN(C(c(cc1)cc([N+]([O-])=O)c1Cl)=O)c1c(C)cccc1)C(c(cc1)cc([N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C30H24Cl2N4O6/c1-19-7-3-5-9-25(19)33(29(37)21-11-13-23(31)27(17-21)35(39)40)15-16-34(26-10-6-4-8-20(26)2)30(38)22-12-14-24(32)28(18-22)36(41)42/h3-14,17-18H,15-16H2,1-2H3

InChI Key

GFKSAOIIPYQDBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00308003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

607.45

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.860

Distribution Coefficient, logD

6.860

Water Solubility, LogSw

-6.28

Polar Surface Area

96.728

Acid Dissociation Constant (pKa)

27.65

Base Dissociation Constant (pKb)

-5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

0711-0167 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 0711-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0711-0167?
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What is the minimum amount of 0711-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0711-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0711-0167
  • 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 0711-0167 available by request