8004-9035 Screening compound: N-[4-(2,6-bis{4-[(2,2,2-trifluoroacetyl)amino]phenyl}-4-pyrimidinyl)phenyl]-2,2,2-trifluoroacetamide

8004-9035 Screening compound: N-[4-(2,6-bis{4-[(2,2,2-trifluoroacetyl)amino]phenyl}-4-pyrimidinyl)phenyl]-2,2,2-trifluoroacetamide
8004-9035 Screening compound: N-[4-(2,6-bis{4-[(2,2,2-trifluoroacetyl)amino]phenyl}-4-pyrimidinyl)phenyl]-2,2,2-trifluoroacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-9035
N-[4-(2,6-bis{4-[(2,2,2-trifluoroacetyl)amino]phenyl}-4-pyrimidinyl)phenyl]-2,2,2-trifluoroacetamide

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

8004-9035

Molecular Formula

C28H16F9N5O3 (C28 H16 F9 N5 O3)

Compound Name

N-[4-(2,6-bis{4-[(2,2,2-trifluoroacetyl)amino]phenyl}-4-pyrimidinyl)phenyl]-2,2,2-trifluoroacetamide

IUPAC name

N-(4-{46-bis[4-(222-trifluoroacetamido)phenyl]pyrimidin-2-yl}phenyl)-222-trifluoroacetamide

SMILES

O=C(C(F)(F)F)Nc(cc1)ccc1-c1nc(-c(cc2)ccc2NC(C(F)(F)F)=O)nc(-c(cc2)ccc2NC(C(F)(F)F)=O)c1

InChI

InChI=1S/C28H16F9N5O3/c29-26(30,31)23(43)38-17-7-1-14(2-8-17)20-13-21(15-3-9-18(10-4-15)39-24(44)27(32,33)34)42-22(41-20)16-5-11-19(12-6-16)40-25(45)28(35,36)37/h1-13H,(H,38,43)(H,39,44)(H,40,45)

InChI Key

WUDOXLOMODUING-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00304672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

641.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.386

Distribution Coefficient, logD

7.376

Water Solubility, LogSw

-6.27

Polar Surface Area

88.083

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.71

References: we are preparing a list of scientific research reports with 8004-9035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-9035?
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What is the minimum amount of 8004-9035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-9035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-9035
  • 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 8004-9035 available by request