C071-0401 Screening compound: methyl 2-(4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)benzoate

C071-0401 Screening compound: methyl 2-(4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)benzoate
C071-0401 Screening compound: methyl 2-(4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0401
methyl 2-(4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)benzoate

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

C071-0401

Molecular Formula

C24H22F3N3O6S (C24 H22 F3 N3 O6 S)

Compound Name

methyl 2-(4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)benzoate

IUPAC name

methyl 2-(4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)benzoate

SMILES

COC(c(cccc1)c1NC(CCCS(c1nc(-c(cccc2)c2OC)cc(C(F)(F)F)n1)(=O)=O)=O)=O

InChI

InChI=1S/C24H22F3N3O6S/c1-35-19-11-6-4-8-15(19)18-14-20(24(25,26)27)30-23(29-18)37(33,34)13-7-12-21(31)28-17-10-5-3-9-16(17)22(32)36-2/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,28,31)

InChI Key

NTDIBTHQNUVPIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

3.194

Water Solubility, LogSw

-3.87

Polar Surface Area

98.108

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C071-0401 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C071-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0401?
Check Price and Availability of C071-0401, 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 C071-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0401
  • 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 C071-0401 available by request