V026-9681 Screening compound: 2-chloro-1-(2-methyl-4-{6-[(2-methylphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}piperazin-1-yl)-2-phenylethan-1-one

V026-9681 Screening compound: 2-chloro-1-(2-methyl-4-{6-[(2-methylphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}piperazin-1-yl)-2-phenylethan-1-one
V026-9681 Screening compound: 2-chloro-1-(2-methyl-4-{6-[(2-methylphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}piperazin-1-yl)-2-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-9681
2-chloro-1-(2-methyl-4-{6-[(2-methylphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}piperazin-1-yl)-2-phenylethan-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

V026-9681

Molecular Formula

C28H28ClN3O2S (C28 H28 ClN3 O2 S)

Compound Name

2-chloro-1-(2-methyl-4-{6-[(2-methylphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}piperazin-1-yl)-2-phenylethan-1-one

IUPAC name

2-chloro-1-(2-methyl-4-{6-[(2-methylphenyl)methyl]-6H-thieno[23-b]pyrrole-5-carbonyl}piperazin-1-yl)-2-phenylethan-1-one

SMILES

CC(CN(CC1)C(c(n2Cc3c(C)cccc3)cc3c2scc3)=O)N1C(C(c1ccccc1)Cl)=O

InChI

InChI=1S/C28H28ClN3O2S/c1-19-8-6-7-11-23(19)18-32-24(16-22-12-15-35-28(22)32)26(33)30-13-14-31(20(2)17-30)27(34)25(29)21-9-4-3-5-10-21/h3-12,15-16,20,25H,13-14,17-18H2,1-2H3

InChI Key

FDXNEFWQWVGSLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19842204

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

506.07

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.109

Distribution Coefficient, logD

6.109

Water Solubility, LogSw

-5.80

Polar Surface Area

33.869

Acid Dissociation Constant (pKa)

18.66

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

V026-9681 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V026-9681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-9681?
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What is the minimum amount of V026-9681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-9681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-9681
  • 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 V026-9681 available by request