C071-0407 Screening compound: N-(2-chloropyridin-3-yl)-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide

C071-0407 Screening compound: N-(2-chloropyridin-3-yl)-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide
C071-0407 Screening compound: N-(2-chloropyridin-3-yl)-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0407
N-(2-chloropyridin-3-yl)-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}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

C071-0407

Molecular Formula

C21H18ClF3N4O4S (C21 H18 ClF3 N4 O4 S)

Compound Name

N-(2-chloropyridin-3-yl)-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide

IUPAC name

N-(2-chloropyridin-3-yl)-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide

SMILES

COc(cccc1)c1-c1cc(C(F)(F)F)nc(S(CCCC(Nc2cccnc2Cl)=O)(=O)=O)n1

InChI

InChI=1S/C21H18ClF3N4O4S/c1-33-16-8-3-2-6-13(16)15-12-17(21(23,24)25)29-20(28-15)34(31,32)11-5-9-18(30)27-14-7-4-10-26-19(14)22/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,27,30)

InChI Key

RGEBHFBBSLVSRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.91

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.852

Distribution Coefficient, logD

2.848

Water Solubility, LogSw

-3.67

Polar Surface Area

86.620

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C071-0407 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C071-0407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0407?
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What is the minimum amount of C071-0407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0407
  • 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 C071-0407 available by request