C857-1967 Screening compound: 1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(propylsulfanyl)propyl]piperidine-4-carboxamide

C857-1967 Screening compound: 1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(propylsulfanyl)propyl]piperidine-4-carboxamide
C857-1967 Screening compound: 1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(propylsulfanyl)propyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C857-1967
1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(propylsulfanyl)propyl]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

C857-1967

Molecular Formula

C20H31N5OS2 (C20 H31 N5 OS2)

Compound Name

1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(propylsulfanyl)propyl]piperidine-4-carboxamide

IUPAC name

1-[5-(25-dimethyl-1H-pyrrol-1-yl)-134-thiadiazol-2-yl]-N-[3-(propylsulfanyl)propyl]piperidine-4-carboxamide

SMILES

CCCSCCCNC(C(CC1)CCN1c1nnc(-n2c(C)ccc2C)s1)=O

InChI

InChI=1S/C20H31N5OS2/c1-4-13-27-14-5-10-21-18(26)17-8-11-24(12-9-17)19-22-23-20(28-19)25-15(2)6-7-16(25)3/h6-7,17H,4-5,8-14H2,1-3H3,(H,21,26)

InChI Key

XHQSHBUYCQUIOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.197

Distribution Coefficient, logD

3.197

Water Solubility, LogSw

-3.05

Polar Surface Area

54.240

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

References: we are preparing a list of scientific research reports with C857-1967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C857-1967?
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What is the minimum amount of C857-1967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C857-1967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C857-1967
  • 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 C857-1967 available by request