C094-0317 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-[(4-methoxyphenyl)[(4-methoxyphenyl)carbamoyl]methyl]-N-methylpropanamide

C094-0317 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-[(4-methoxyphenyl)[(4-methoxyphenyl)carbamoyl]methyl]-N-methylpropanamide
C094-0317 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-[(4-methoxyphenyl)[(4-methoxyphenyl)carbamoyl]methyl]-N-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-0317
3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-[(4-methoxyphenyl)[(4-methoxyphenyl)carbamoyl]methyl]-N-methylpropanamide

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

C094-0317

Molecular Formula

C34H44N2O5 (C34 H44 N2 O5)

Compound Name

3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-[(4-methoxyphenyl)[(4-methoxyphenyl)carbamoyl]methyl]-N-methylpropanamide

IUPAC name

3-(35-di-tert-butyl-4-hydroxyphenyl)-N-[(4-methoxyphenyl)[(4-methoxyphenyl)carbamoyl]methyl]-N-methylpropanamide

SMILES

CC(C)(C)c1cc(CCC(N(C)C(C(Nc(cc2)ccc2OC)=O)c(cc2)ccc2OC)=O)cc(C(C)(C)C)c1O

InChI

InChI=1S/C34H44N2O5/c1-33(2,3)27-20-22(21-28(31(27)38)34(4,5)6)10-19-29(37)36(7)30(23-11-15-25(40-8)16-12-23)32(39)35-24-13-17-26(41-9)18-14-24/h11-18,20-21,30,38H,10,19H2,1-9H3,(H,35,39)/t30-/m1/s1

InChI Key

CNSZSBLWSZOVNR-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD03449793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.73

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.708

Distribution Coefficient, logD

6.708

Water Solubility, LogSw

-5.62

Polar Surface Area

68.311

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

C094-0317 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C094-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-0317?
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What is the minimum amount of C094-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-0317
  • 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 C094-0317 available by request