C794-1594 Screening compound: N-{3-[benzyl(propan-2-yl)amino]propyl}-1-[5-(2-{[(4-ethoxyphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C794-1594 Screening compound: N-{3-[benzyl(propan-2-yl)amino]propyl}-1-[5-(2-{[(4-ethoxyphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
C794-1594 Screening compound: N-{3-[benzyl(propan-2-yl)amino]propyl}-1-[5-(2-{[(4-ethoxyphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1594
N-{3-[benzyl(propan-2-yl)amino]propyl}-1-[5-(2-{[(4-ethoxyphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-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

C794-1594

Molecular Formula

C34H45N7O2S (C34 H45 N7 O2 S)

Compound Name

N-{3-[benzyl(propan-2-yl)amino]propyl}-1-[5-(2-{[(4-ethoxyphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

IUPAC name

N-{3-[benzyl(propan-2-yl)amino]propyl}-1-[5-(2-{[(4-ethoxyphenyl)amino]methyl}-1H-pyrrol-1-yl)-134-thiadiazol-2-yl]piperidine-4-carboxamide

SMILES

CCOc(cc1)ccc1NCc1cccn1-c1nnc(N(CC2)CCC2C(NCCCN(Cc2ccccc2)C(C)C)=O)s1

InChI

InChI=1S/C34H45N7O2S/c1-4-43-31-15-13-29(14-16-31)36-24-30-12-8-21-41(30)34-38-37-33(44-34)39-22-17-28(18-23-39)32(42)35-19-9-20-40(26(2)3)25-27-10-6-5-7-11-27/h5-8,10-16,21,26,28,36H,4,9,17-20,22-25H2,1-3H3,(H,35,42)

InChI Key

WPOFVBOWBNFAQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

615.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.725

Distribution Coefficient, logD

3.721

Water Solubility, LogSw

-5.22

Polar Surface Area

74.565

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

9.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.10

C794-1594 in Drug Discovery

Included in Screening Libraries

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 C794-1594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1594?
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What is the minimum amount of C794-1594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1594
  • 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 C794-1594 available by request