7213-0377 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one

7213-0377 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
7213-0377 Screening compound: 1-(2,3-dihydro-1H-indol-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 7213-0377
1-(2,3-dihydro-1H-indol-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

7213-0377

Molecular Formula

C23H20F3N3O3S (C23 H20 F3 N3 O3 S)

Compound Name

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

IUPAC name

1-(23-dihydro-1H-indol-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(N(CC2)c3c2cccc3)=O)n1)c1)c1OC

InChI

InChI=1S/C23H20F3N3O3S/c1-31-18-8-7-15(11-19(18)32-2)16-12-20(23(24,25)26)28-22(27-16)33-13-21(30)29-10-9-14-5-3-4-6-17(14)29/h3-8,11-12H,9-10,13H2,1-2H3

InChI Key

QDVAIUUDELTVLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03045244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.49

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

4.909

Distribution Coefficient, logD

4.909

Water Solubility, LogSw

-4.65

Polar Surface Area

47.672

Acid Dissociation Constant (pKa)

16.00

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

7213-0377 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 7213-0377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0377?
Check Price and Availability of 7213-0377, 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 7213-0377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0377
  • 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 7213-0377 available by request