7213-0085 Screening compound: N-tert-butyl-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

7213-0085 Screening compound: N-tert-butyl-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
7213-0085 Screening compound: N-tert-butyl-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0085
N-tert-butyl-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

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

7213-0085

Molecular Formula

C17H18F3N3OS (C17 H18 F3 N3 OS)

Compound Name

N-tert-butyl-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-tert-butyl-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

SMILES

CC(C)(C)NC(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C17H18F3N3OS/c1-16(2,3)23-14(24)10-25-15-21-12(11-7-5-4-6-8-11)9-13(22-15)17(18,19)20/h4-9H,10H2,1-3H3,(H,23,24)

InChI Key

GXEVAHFNRQDZJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02233430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.615

Distribution Coefficient, logD

4.614

Water Solubility, LogSw

-4.37

Polar Surface Area

40.555

Acid Dissociation Constant (pKa)

15.38

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

7213-0085 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 7213-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0085?
Check Price and Availability of 7213-0085, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7213-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0085
  • 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 7213-0085 available by request