8014-6110 Screening compound: N~1~-[2-[(2-hydroxyethyl)(methyl)amino]-5-(trifluoromethyl)phenyl]-3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide

8014-6110 Screening compound: N~1~-[2-[(2-hydroxyethyl)(methyl)amino]-5-(trifluoromethyl)phenyl]-3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
8014-6110 Screening compound: N~1~-[2-[(2-hydroxyethyl)(methyl)amino]-5-(trifluoromethyl)phenyl]-3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-6110
N~1~-[2-[(2-hydroxyethyl)(methyl)amino]-5-(trifluoromethyl)phenyl]-3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide

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

8014-6110

Molecular Formula

C25H21F6N3O6 (C25 H21 F6 N3 O6)

Compound Name

N~1~-[2-[(2-hydroxyethyl)(methyl)amino]-5-(trifluoromethyl)phenyl]-3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide

IUPAC name

N-{2-[(2-hydroxyethyl)(methyl)amino]-5-(trifluoromethyl)phenyl}-3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide

SMILES

CN(CCO)c(ccc(C(F)(F)F)c1)c1NC(c(cc1)cc(OC)c1Oc(ccc(C(F)(F)F)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C25H21F6N3O6/c1-33(9-10-35)18-6-4-15(24(26,27)28)12-17(18)32-23(36)14-3-7-21(22(11-14)39-2)40-20-8-5-16(25(29,30)31)13-19(20)34(37)38/h3-8,11-13,35H,9-10H2,1-2H3,(H,32,36)

InChI Key

DQYKBRIKPLZPAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

573.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.349

Distribution Coefficient, logD

4.685

Water Solubility, LogSw

-5.46

Polar Surface Area

89.823

Acid Dissociation Constant (pKa)

6.84

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

8014-6110 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-6110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-6110?
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What is the minimum amount of 8014-6110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-6110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-6110
  • 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 8014-6110 available by request