C857-2137 Screening compound: 1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-fluorophenyl)piperidine-3-carboxamide

C857-2137 Screening compound: 1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-fluorophenyl)piperidine-3-carboxamide
C857-2137 Screening compound: 1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-fluorophenyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C857-2137
1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-fluorophenyl)piperidine-3-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

C857-2137

Molecular Formula

C20H22FN5OS (C20 H22 FN5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C)n1-c1nnc(N(CCC2)CC2C(Nc(cccc2)c2F)=O)s1

InChI

InChI=1S/C20H22FN5OS/c1-13-9-10-14(2)26(13)20-24-23-19(28-20)25-11-5-6-15(12-25)18(27)22-17-8-4-3-7-16(17)21/h3-4,7-10,15H,5-6,11-12H2,1-2H3,(H,22,27)/t15-/m0/s1

InChI Key

ZEMJILNIXUICSI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14801193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.422

Distribution Coefficient, logD

3.421

Water Solubility, LogSw

-3.60

Polar Surface Area

52.040

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with C857-2137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C857-2137?
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What is the minimum amount of C857-2137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C857-2137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C857-2137
  • 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 C857-2137 available by request