6466-0646 Screening compound: propyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamido)thiophene-3-carboxylate

6466-0646 Screening compound: propyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamido)thiophene-3-carboxylate
6466-0646 Screening compound: propyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamido)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0646
propyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamido)thiophene-3-carboxylate

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

6466-0646

Molecular Formula

C26H27F3N4O4S2 (C26 H27 F3 N4 O4 S2)

Compound Name

propyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamido)thiophene-3-carboxylate

IUPAC name

propyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamido)thiophene-3-carboxylate

SMILES

CCCOC(c1c(NC(C(C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)=O)sc(C(N(C)C)=O)c1C)=O

InChI

InChI=1S/C26H27F3N4O4S2/c1-6-12-37-24(36)19-14(2)20(23(35)33(4)5)39-22(19)32-21(34)15(3)38-25-30-17(16-10-8-7-9-11-16)13-18(31-25)26(27,28)29/h7-11,13,15H,6,12H2,1-5H3,(H,32,34)/t15-/m0/s1

InChI Key

OJCFIQWDGRHVPO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02737104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.573

Distribution Coefficient, logD

3.884

Water Solubility, LogSw

-5.43

Polar Surface Area

77.194

Acid Dissociation Constant (pKa)

5.72

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

6466-0646 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 6466-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0646?
Check Price and Availability of 6466-0646, 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 6466-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0646
  • 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 6466-0646 available by request