7213-0371 Screening compound: N-cyclohexyl-2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-methylacetamide

7213-0371 Screening compound: N-cyclohexyl-2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-methylacetamide
7213-0371 Screening compound: N-cyclohexyl-2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0371
N-cyclohexyl-2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-methylacetamide

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

7213-0371

Molecular Formula

C22H26F3N3O3S (C22 H26 F3 N3 O3 S)

Compound Name

N-cyclohexyl-2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-methylacetamide

IUPAC name

N-cyclohexyl-2-{[4-(34-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-methylacetamide

SMILES

CN(C1CCCCC1)C(CSc1nc(-c(cc2)cc(OC)c2OC)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C22H26F3N3O3S/c1-28(15-7-5-4-6-8-15)20(29)13-32-21-26-16(12-19(27-21)22(23,24)25)14-9-10-17(30-2)18(11-14)31-3/h9-12,15H,4-8,13H2,1-3H3

InChI Key

KYNQUWSIBMBIBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03045237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.914

Distribution Coefficient, logD

4.914

Water Solubility, LogSw

-4.70

Polar Surface Area

47.196

Acid Dissociation Constant (pKa)

17.84

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

7213-0371 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 7213-0371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0371?
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What is the minimum amount of 7213-0371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0371
  • 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 7213-0371 available by request