C857-0077 Screening compound: ethyl 4-{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-amido}benzoate

C857-0077 Screening compound: ethyl 4-{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-amido}benzoate
C857-0077 Screening compound: ethyl 4-{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C857-0077
ethyl 4-{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-amido}benzoate

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

C857-0077

Molecular Formula

C21H23N5O3S (C21 H23 N5 O3 S)

Compound Name

ethyl 4-{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-amido}benzoate

IUPAC name

ethyl 4-{1-[5-(1H-pyrrol-1-yl)-134-thiadiazol-2-yl]piperidine-4-amido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(CC1)CCN1c1nnc(-n2cccc2)s1)=O)=O

InChI

InChI=1S/C21H23N5O3S/c1-2-29-19(28)16-5-7-17(8-6-16)22-18(27)15-9-13-26(14-10-15)21-24-23-20(30-21)25-11-3-4-12-25/h3-8,11-12,15H,2,9-10,13-14H2,1H3,(H,22,27)

InChI Key

QUAMCMHSFVAFOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.825

Distribution Coefficient, logD

3.825

Water Solubility, LogSw

-3.79

Polar Surface Area

74.656

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

10.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C857-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C857-0077?
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What is the minimum amount of C857-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C857-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C857-0077
  • 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 C857-0077 available by request