C614-1022 Screening compound: 1-[(4-ethoxyphenyl)amino]-3-{2-methyl-3-[1-(4-methylbenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indol-1-yl}propan-2-ol

C614-1022 Screening compound: 1-[(4-ethoxyphenyl)amino]-3-{2-methyl-3-[1-(4-methylbenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indol-1-yl}propan-2-ol
C614-1022 Screening compound: 1-[(4-ethoxyphenyl)amino]-3-{2-methyl-3-[1-(4-methylbenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indol-1-yl}propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-1022
1-[(4-ethoxyphenyl)amino]-3-{2-methyl-3-[1-(4-methylbenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indol-1-yl}propan-2-ol

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

C614-1022

Molecular Formula

C32H37N3O4S (C32 H37 N3 O4 S)

Compound Name

1-[(4-ethoxyphenyl)amino]-3-{2-methyl-3-[1-(4-methylbenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indol-1-yl}propan-2-ol

IUPAC name

1-[(4-ethoxyphenyl)amino]-3-{2-methyl-3-[1-(4-methylbenzenesulfonyl)-1236-tetrahydropyridin-4-yl]-1H-indol-1-yl}propan-2-ol

SMILES

CCOc(cc1)ccc1NCC(Cn1c(cccc2)c2c(C(CC2)=CCN2S(c2ccc(C)cc2)(=O)=O)c1C)O

InChI

InChI=1S/C32H37N3O4S/c1-4-39-28-13-11-26(12-14-28)33-21-27(36)22-35-24(3)32(30-7-5-6-8-31(30)35)25-17-19-34(20-18-25)40(37,38)29-15-9-23(2)10-16-29/h5-17,27,33,36H,4,18-22H2,1-3H3/t27-/m0/s1

InChI Key

ROVKVDKNMARJCV-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14776411

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

559.73

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.243

Distribution Coefficient, logD

6.242

Water Solubility, LogSw

-5.61

Polar Surface Area

67.128

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

8.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

C614-1022 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C614-1022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-1022?
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What is the minimum amount of C614-1022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-1022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-1022
  • 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 C614-1022 available by request