V018-6800 Screening compound: 1-(4-{4-[(4-bromophenyl)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperazin-1-yl)ethan-1-one

V018-6800 Screening compound: 1-(4-{4-[(4-bromophenyl)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperazin-1-yl)ethan-1-one
V018-6800 Screening compound: 1-(4-{4-[(4-bromophenyl)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-6800
1-(4-{4-[(4-bromophenyl)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperazin-1-yl)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

V018-6800

Molecular Formula

C21H22BrN3O2S (C21 H22 BrN3 O2 S)

Compound Name

1-(4-{4-[(4-bromophenyl)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperazin-1-yl)ethan-1-one

IUPAC name

1-(4-{4-[(4-bromophenyl)methyl]-2-methyl-4H-thieno[32-b]pyrrole-5-carbonyl}piperazin-1-yl)ethan-1-one

SMILES

CC(N(CC1)CCN1C(c1cc(sc(C)c2)c2n1Cc(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C21H22BrN3O2S/c1-14-11-18-20(28-14)12-19(25(18)13-16-3-5-17(22)6-4-16)21(27)24-9-7-23(8-10-24)15(2)26/h3-6,11-12H,7-10,13H2,1-2H3

InChI Key

GTXXPONLZOFEAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19895908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.278

Distribution Coefficient, logD

4.278

Water Solubility, LogSw

-4.25

Polar Surface Area

35.555

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V018-6800 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V018-6800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-6800?
Check Price and Availability of V018-6800, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V018-6800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-6800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-6800
  • 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 V018-6800 available by request