C614-1032 Screening compound: 1-[(3,5-dimethoxyphenyl)amino]-3-{2-methyl-3-[1-(4-methylbenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indol-1-yl}propan-2-ol

C614-1032 Screening compound: 1-[(3,5-dimethoxyphenyl)amino]-3-{2-methyl-3-[1-(4-methylbenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indol-1-yl}propan-2-ol
C614-1032 Screening compound: 1-[(3,5-dimethoxyphenyl)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 C614-1032
1-[(3,5-dimethoxyphenyl)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

C614-1032

Molecular Formula

C32H37N3O5S (C32 H37 N3 O5 S)

Compound Name

1-[(3,5-dimethoxyphenyl)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-[(35-dimethoxyphenyl)amino]-3-{2-methyl-3-[1-(4-methylbenzenesulfonyl)-1236-tetrahydropyridin-4-yl]-1H-indol-1-yl}propan-2-ol

SMILES

Cc(n(CC(CNc1cc(OC)cc(OC)c1)O)c1c2cccc1)c2C(CC1)=CCN1S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C32H37N3O5S/c1-22-9-11-29(12-10-22)41(37,38)34-15-13-24(14-16-34)32-23(2)35(31-8-6-5-7-30(31)32)21-26(36)20-33-25-17-27(39-3)19-28(18-25)40-4/h5-13,17-19,26,33,36H,14-16,20-21H2,1-4H3/t26-/m0/s1

InChI Key

PUKURPIXBQGSEK-SANMLTNESA-N

MDL Number (MFCD)

MFCD14776417

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

575.73

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.897

Distribution Coefficient, logD

5.897

Water Solubility, LogSw

-5.60

Polar Surface Area

75.092

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

C614-1032 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C614-1032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-1032?
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What is the minimum amount of C614-1032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-1032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-1032
  • 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 C614-1032 available by request