C274-2976 Screening compound: 1-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidine-3-carbonyl}-4-(2-fluorophenyl)piperazine

C274-2976 Screening compound: 1-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidine-3-carbonyl}-4-(2-fluorophenyl)piperazine
C274-2976 Screening compound: 1-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidine-3-carbonyl}-4-(2-fluorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C274-2976
1-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidine-3-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

C274-2976

Molecular Formula

C20H23BrFN3O3S2 (C20 H23 BrFN3 O3 S2)

Compound Name

1-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidine-3-carbonyl}-4-(2-fluorophenyl)piperazine

IUPAC name

1-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidine-3-carbonyl}-4-(2-fluorophenyl)piperazine

SMILES

O=C(C(CCC1)CN1S(c(s1)ccc1Br)(=O)=O)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C20H23BrFN3O3S2/c21-18-7-8-19(29-18)30(27,28)25-9-3-4-15(14-25)20(26)24-12-10-23(11-13-24)17-6-2-1-5-16(17)22/h1-2,5-8,15H,3-4,9-14H2/t15-/m0/s1

InChI Key

XRPYLZBOUGIWON-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05032215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.553

Distribution Coefficient, logD

3.553

Water Solubility, LogSw

-3.67

Polar Surface Area

52.509

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

C274-2976 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C274-2976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C274-2976?
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What is the minimum amount of C274-2976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C274-2976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C274-2976
  • 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 C274-2976 available by request