8014-2993 Screening compound: 1-(2-methyl-4,6-dinitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino}anilino)-2-propanol

8014-2993 Screening compound: 1-(2-methyl-4,6-dinitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino}anilino)-2-propanol
8014-2993 Screening compound: 1-(2-methyl-4,6-dinitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino}anilino)-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2993
1-(2-methyl-4,6-dinitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino}anilino)-2-propanol

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

8014-2993

Molecular Formula

C21H23F3N6O7 (C21 H23 F3 N6 O7)

Compound Name

1-(2-methyl-4,6-dinitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino}anilino)-2-propanol

IUPAC name

1-[(2-methyl-46-dinitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl)amino]propan-2-ol

SMILES

CC(CNc(c([N+]([O-])=O)c1)c(C)c(N(CC2)CCN2c(ccc(C(F)(F)F)c2)c2[N+]([O-])=O)c1[N+]([O-])=O)O

InChI

InChI=1S/C21H23F3N6O7/c1-12(31)11-25-19-13(2)20(18(30(36)37)10-17(19)29(34)35)27-7-5-26(6-8-27)15-4-3-14(21(22,23)24)9-16(15)28(32)33/h3-4,9-10,12,25,31H,5-8,11H2,1-2H3/t12-/m0/s1

InChI Key

JIIQRXOSGXAWLQ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03228114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.45

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.959

Distribution Coefficient, logD

3.959

Water Solubility, LogSw

-4.25

Polar Surface Area

130.879

Acid Dissociation Constant (pKa)

14.96

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

References: we are preparing a list of scientific research reports with 8014-2993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2993?
Check Price and Availability of 8014-2993, 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 8014-2993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2993
  • 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 8014-2993 available by request