C071-0397 Screening compound: N-(5-bromo-2-hydroxyphenyl)-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide

C071-0397 Screening compound: N-(5-bromo-2-hydroxyphenyl)-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide
C071-0397 Screening compound: N-(5-bromo-2-hydroxyphenyl)-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0397
N-(5-bromo-2-hydroxyphenyl)-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

C071-0397

Molecular Formula

C22H19BrF3N3O5S (C22 H19 BrF3 N3 O5 S)

Compound Name

N-(5-bromo-2-hydroxyphenyl)-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide

IUPAC name

N-(5-bromo-2-hydroxyphenyl)-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide

SMILES

COc(cccc1)c1-c1cc(C(F)(F)F)nc(S(CCCC(Nc(cc(cc2)Br)c2O)=O)(=O)=O)n1

InChI

InChI=1S/C22H19BrF3N3O5S/c1-34-18-6-3-2-5-14(18)15-12-19(22(24,25)26)29-21(28-15)35(32,33)10-4-7-20(31)27-16-11-13(23)8-9-17(16)30/h2-3,5-6,8-9,11-12,30H,4,7,10H2,1H3,(H,27,31)

InChI Key

UAIUBZPSICDHER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.786

Distribution Coefficient, logD

3.774

Water Solubility, LogSw

-3.66

Polar Surface Area

93.483

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C071-0397 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Kinases Annotated Library (2415 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 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
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C071-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0397?
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What is the minimum amount of C071-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0397
  • 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 C071-0397 available by request