F540-1690 Screening compound: 1-[4-(4-{[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one

F540-1690 Screening compound: 1-[4-(4-{[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one
F540-1690 Screening compound: 1-[4-(4-{[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F540-1690
1-[4-(4-{[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one

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

F540-1690

Molecular Formula

C23H29N3O4S2 (C23 H29 N3 O4 S2)

Compound Name

1-[4-(4-{[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one

IUPAC name

1-[4-(4-{[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one

SMILES

CC(c(cc1)ccc1N(CC1)CCN1S(c1cc(C(N2CCCCCC2)=O)cs1)(=O)=O)=O

InChI

InChI=1S/C23H29N3O4S2/c1-18(27)19-6-8-21(9-7-19)24-12-14-26(15-13-24)32(29,30)22-16-20(17-31-22)23(28)25-10-4-2-3-5-11-25/h6-9,16-17H,2-5,10-15H2,1H3

InChI Key

KQHUKUXOJJKKKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27174339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.024

Distribution Coefficient, logD

3.024

Water Solubility, LogSw

-3.27

Polar Surface Area

67.034

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.83

References: we are preparing a list of scientific research reports with F540-1690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F540-1690?
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What is the minimum amount of F540-1690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F540-1690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F540-1690
  • 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 F540-1690 available by request