7213-0309 Screening compound: 4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]butanamide

7213-0309 Screening compound: 4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]butanamide
7213-0309 Screening compound: 4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0309
4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]butanamide

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

7213-0309

Molecular Formula

C18H16F3N3O2S2 (C18 H16 F3 N3 O2 S2)

Compound Name

4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]butanamide

IUPAC name

4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]butanamide

SMILES

O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1cccs1

InChI

InChI=1S/C18H16F3N3O2S2/c19-18(20,21)15-10-13(14-5-1-7-26-14)23-17(24-15)28-9-3-6-16(25)22-11-12-4-2-8-27-12/h1-2,4-5,7-8,10H,3,6,9,11H2,(H,22,25)

InChI Key

PAFWWDCVAZBLNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03110783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.030

Distribution Coefficient, logD

4.030

Water Solubility, LogSw

-4.13

Polar Surface Area

51.057

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

7213-0309 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7213-0309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0309?
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What is the minimum amount of 7213-0309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0309
  • 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 7213-0309 available by request