C794-1616 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-1-[5-(2-{[(4-ethoxyphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C794-1616 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-1-[5-(2-{[(4-ethoxyphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
C794-1616 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-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 C794-1616
N-[(3,4-dimethoxyphenyl)methyl]-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

C794-1616

Molecular Formula

C30H36N6O4S (C30 H36 N6 O4 S)

Compound Name

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

IUPAC name

N-[(34-dimethoxyphenyl)methyl]-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(NCc(cc2)cc(OC)c2OC)=O)s1

InChI

InChI=1S/C30H36N6O4S/c1-4-40-25-10-8-23(9-11-25)31-20-24-6-5-15-36(24)30-34-33-29(41-30)35-16-13-22(14-17-35)28(37)32-19-21-7-12-26(38-2)27(18-21)39-3/h5-12,15,18,22,31H,4,13-14,16-17,19-20H2,1-3H3,(H,32,37)

InChI Key

FLHTYZXCVZWEFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.332

Distribution Coefficient, logD

4.332

Water Solubility, LogSw

-4.15

Polar Surface Area

86.387

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.70

References: we are preparing a list of scientific research reports with C794-1616 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C794-1616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1616
  • 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 C794-1616 available by request