3652-0046 Screening compound: N-[(Z)-{[2-chloro-5-(trifluoromethyl)phenyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2,2,2-trifluoroacetamide

3652-0046 Screening compound: N-[(Z)-{[2-chloro-5-(trifluoromethyl)phenyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2,2,2-trifluoroacetamide
3652-0046 Screening compound: N-[(Z)-{[2-chloro-5-(trifluoromethyl)phenyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2,2,2-trifluoroacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3652-0046
N-[(Z)-{[2-chloro-5-(trifluoromethyl)phenyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-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

3652-0046

Molecular Formula

C16H12ClF6N5O (C16 H12 ClF6 N5 O)

Compound Name

N-[(Z)-{[2-chloro-5-(trifluoromethyl)phenyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2,2,2-trifluoroacetamide

IUPAC name

N-[(Z)-{[2-chloro-5-(trifluoromethyl)phenyl]amino}[(46-dimethylpyrimidin-2-yl)amino]methylidene]-222-trifluoroacetamide

SMILES

Cc1nc(N/C(/Nc(cc(C(F)(F)F)cc2)c2Cl)=N\C(C(F)(F)F)=O)nc(C)c1

InChI

InChI=1S/C16H12ClF6N5O/c1-7-5-8(2)25-13(24-7)28-14(27-12(29)16(21,22)23)26-11-6-9(15(18,19)20)3-4-10(11)17/h3-6H,1-2H3,(H2,24,25,26,27,28,29)

InChI Key

YVAVRBQPYZDPOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02127776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.290

Distribution Coefficient, logD

2.729

Water Solubility, LogSw

-4.53

Polar Surface Area

59.421

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3652-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3652-0046?
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What is the minimum amount of 3652-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3652-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3652-0046
  • 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 3652-0046 available by request