C857-2042 Screening compound: 1-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-4-(2-fluorophenyl)piperazine

C857-2042 Screening compound: 1-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-4-(2-fluorophenyl)piperazine
C857-2042 Screening compound: 1-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-4-(2-fluorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C857-2042
1-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}-4-(2-fluorophenyl)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

C857-2042

Molecular Formula

C24H29FN6OS (C24 H29 FN6 OS)

Compound Name

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

IUPAC name

1-{1-[5-(25-dimethyl-1H-pyrrol-1-yl)-134-thiadiazol-2-yl]piperidine-4-carbonyl}-4-(2-fluorophenyl)piperazine

SMILES

Cc1ccc(C)n1-c1nnc(N(CC2)CCC2C(N(CC2)CCN2c(cccc2)c2F)=O)s1

InChI

InChI=1S/C24H29FN6OS/c1-17-7-8-18(2)31(17)24-27-26-23(33-24)30-11-9-19(10-12-30)22(32)29-15-13-28(14-16-29)21-6-4-3-5-20(21)25/h3-8,19H,9-16H2,1-2H3

InChI Key

SJJIUWOTZXHQLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.776

Distribution Coefficient, logD

3.776

Water Solubility, LogSw

-3.87

Polar Surface Area

49.321

Acid Dissociation Constant (pKa)

21.67

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

References: we are preparing a list of scientific research reports with C857-2042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C857-2042?
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What is the minimum amount of C857-2042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C857-2042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C857-2042
  • 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 C857-2042 available by request