C857-0264 Screening compound: 1-benzyl-4-{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}piperazine

C857-0264 Screening compound: 1-benzyl-4-{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}piperazine
C857-0264 Screening compound: 1-benzyl-4-{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C857-0264
1-benzyl-4-{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}piperazine

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

C857-0264

Molecular Formula

C23H28N6OS (C23 H28 N6 OS)

Compound Name

1-benzyl-4-{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}piperazine

IUPAC name

1-benzyl-4-{1-[5-(1H-pyrrol-1-yl)-134-thiadiazol-2-yl]piperidine-4-carbonyl}piperazine

SMILES

O=C(C(CC1)CCN1c1nnc(-n2cccc2)s1)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C23H28N6OS/c30-21(27-16-14-26(15-17-27)18-19-6-2-1-3-7-19)20-8-12-29(13-9-20)23-25-24-22(31-23)28-10-4-5-11-28/h1-7,10-11,20H,8-9,12-18H2

InChI Key

RPFWDPJFZXWESX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.142

Distribution Coefficient, logD

3.090

Water Solubility, LogSw

-3.02

Polar Surface Area

50.999

Acid Dissociation Constant (pKa)

21.67

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

C857-0264 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C857-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C857-0264?
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What is the minimum amount of C857-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C857-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C857-0264
  • 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 C857-0264 available by request