7213-0363 Screening compound: 1-(azepan-1-yl)-2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one

7213-0363 Screening compound: 1-(azepan-1-yl)-2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
7213-0363 Screening compound: 1-(azepan-1-yl)-2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0363
1-(azepan-1-yl)-2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one

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

7213-0363

Molecular Formula

C21H24F3N3O3S (C21 H24 F3 N3 O3 S)

Compound Name

1-(azepan-1-yl)-2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one

IUPAC name

1-(azepan-1-yl)-2-{[4-(34-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one

SMILES

COc(ccc(-c1cc(C(F)(F)F)nc(SCC(N2CCCCCC2)=O)n1)c1)c1OC

InChI

InChI=1S/C21H24F3N3O3S/c1-29-16-8-7-14(11-17(16)30-2)15-12-18(21(22,23)24)26-20(25-15)31-13-19(28)27-9-5-3-4-6-10-27/h7-8,11-12H,3-6,9-10,13H2,1-2H3

InChI Key

VAEBRPRUFHGMAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03045219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.569

Distribution Coefficient, logD

4.569

Water Solubility, LogSw

-4.45

Polar Surface Area

48.973

Acid Dissociation Constant (pKa)

17.84

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with 7213-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0363?
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What is the minimum amount of 7213-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0363
  • 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 7213-0363 available by request