C614-1031 Screening compound: 1-[(3,5-dimethylphenyl)amino]-3-{2-methyl-3-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]-1H-indol-1-yl}propan-2-ol

C614-1031 Screening compound: 1-[(3,5-dimethylphenyl)amino]-3-{2-methyl-3-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]-1H-indol-1-yl}propan-2-ol
C614-1031 Screening compound: 1-[(3,5-dimethylphenyl)amino]-3-{2-methyl-3-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]-1H-indol-1-yl}propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-1031
1-[(3,5-dimethylphenyl)amino]-3-{2-methyl-3-[1-(4-methylbenzenesulfonyl)piperidin-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

C614-1031

Molecular Formula

C32H39N3O3S (C32 H39 N3 O3 S)

Compound Name

1-[(3,5-dimethylphenyl)amino]-3-{2-methyl-3-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]-1H-indol-1-yl}propan-2-ol

IUPAC name

1-[(35-dimethylphenyl)amino]-3-{2-methyl-3-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]-1H-indol-1-yl}propan-2-ol

SMILES

Cc1c(C(CC2)CCN2S(c2ccc(C)cc2)(=O)=O)c(cccc2)c2n1CC(CNc1cc(C)cc(C)c1)O

InChI

InChI=1S/C32H39N3O3S/c1-22-9-11-29(12-10-22)39(37,38)34-15-13-26(14-16-34)32-25(4)35(31-8-6-5-7-30(31)32)21-28(36)20-33-27-18-23(2)17-24(3)19-27/h5-12,17-19,26,28,33,36H,13-16,20-21H2,1-4H3/t28-/m0/s1

InChI Key

LLLYQMLWAPQZKZ-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD14776416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.373

Distribution Coefficient, logD

6.373

Water Solubility, LogSw

-5.65

Polar Surface Area

60.004

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

C614-1031 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 C614-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-1031?
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What is the minimum amount of C614-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-1031
  • 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 C614-1031 available by request