2023-0648 Screening compound: 2-({2-[(2-chloro-4-nitrophenyl)amino]ethyl}[2-nitro-4-(trifluoromethyl)phenyl]amino)ethan-1-ol

2023-0648 Screening compound: 2-({2-[(2-chloro-4-nitrophenyl)amino]ethyl}[2-nitro-4-(trifluoromethyl)phenyl]amino)ethan-1-ol
2023-0648 Screening compound: 2-({2-[(2-chloro-4-nitrophenyl)amino]ethyl}[2-nitro-4-(trifluoromethyl)phenyl]amino)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2023-0648
2-({2-[(2-chloro-4-nitrophenyl)amino]ethyl}[2-nitro-4-(trifluoromethyl)phenyl]amino)ethan-1-ol

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

2023-0648

Molecular Formula

C17H16ClF3N4O5 (C17 H16 ClF3 N4 O5)

Compound Name

2-({2-[(2-chloro-4-nitrophenyl)amino]ethyl}[2-nitro-4-(trifluoromethyl)phenyl]amino)ethan-1-ol

IUPAC name

2-({2-[(2-chloro-4-nitrophenyl)amino]ethyl}[2-nitro-4-(trifluoromethyl)phenyl]amino)ethan-1-ol

SMILES

[O-][N+](c(cc1)cc(Cl)c1NCCN(CCO)c(ccc(C(F)(F)F)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C17H16ClF3N4O5/c18-13-10-12(24(27)28)2-3-14(13)22-5-6-23(7-8-26)15-4-1-11(17(19,20)21)9-16(15)25(29)30/h1-4,9-10,22,26H,5-8H2

InChI Key

FHZDBTLOVDFBCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01173852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.79

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.305

Distribution Coefficient, logD

4.305

Water Solubility, LogSw

-4.50

Polar Surface Area

95.677

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 2023-0648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2023-0648?
Check Price and Availability of 2023-0648, 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 2023-0648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2023-0648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2023-0648
  • 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 2023-0648 available by request