C071-0518 Screening compound: methyl 2-(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)benzoate

C071-0518 Screening compound: methyl 2-(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)benzoate
C071-0518 Screening compound: methyl 2-(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0518
methyl 2-(4-{[4-(3,4-dimethoxyphenyl)-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

C071-0518

Molecular Formula

C25H24F3N3O7S (C25 H24 F3 N3 O7 S)

Compound Name

methyl 2-(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)benzoate

IUPAC name

methyl 2-(4-{[4-(34-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)benzoate

SMILES

COC(c(cccc1)c1NC(CCCS(c1nc(-c(cc2)cc(OC)c2OC)cc(C(F)(F)F)n1)(=O)=O)=O)=O

InChI

InChI=1S/C25H24F3N3O7S/c1-36-19-11-10-15(13-20(19)37-2)18-14-21(25(26,27)28)31-24(30-18)39(34,35)12-6-9-22(32)29-17-8-5-4-7-16(17)23(33)38-3/h4-5,7-8,10-11,13-14H,6,9,12H2,1-3H3,(H,29,32)

InChI Key

PWLKQQUHNRKBGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.54

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.304

Distribution Coefficient, logD

3.159

Water Solubility, LogSw

-3.79

Polar Surface Area

105.739

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C071-0518 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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 C071-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0518?
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What is the minimum amount of C071-0518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0518
  • 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 C071-0518 available by request