C071-0567 Screening compound: 6-tert-butyl-2-(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C071-0567 Screening compound: 6-tert-butyl-2-(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
C071-0567 Screening compound: 6-tert-butyl-2-(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0567
6-tert-butyl-2-(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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

C071-0567

Molecular Formula

C30H35F3N4O6S2 (C30 H35 F3 N4 O6 S2)

Compound Name

6-tert-butyl-2-(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

6-tert-butyl-2-(4-{[4-(34-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N)=O)c(NC(CCCS(c1nc(-c(cc3)cc(OC)c3OC)cc(C(F)(F)F)n1)(=O)=O)=O)s2

InChI

InChI=1S/C30H35F3N4O6S2/c1-29(2,3)17-9-10-18-22(14-17)44-27(25(18)26(34)39)37-24(38)7-6-12-45(40,41)28-35-19(15-23(36-28)30(31,32)33)16-8-11-20(42-4)21(13-16)43-5/h8,11,13,15,17H,6-7,9-10,12,14H2,1-5H3,(H2,34,39)(H,37,38)/t17-/m1/s1

InChI Key

BDTWFYHMTVSQMV-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06164225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

668.76

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.084

Distribution Coefficient, logD

2.981

Water Solubility, LogSw

-4.64

Polar Surface Area

119.037

Acid Dissociation Constant (pKa)

6.33

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

C071-0567 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with C071-0567 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C071-0567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0567
  • 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 C071-0567 available by request