L276-0031 Screening compound: 1-METHYL-5-(PYRROLIDINE-1-CARBONYL)-2-{[4-(THIOPHENE-2-SULFONYL)PIPERAZIN-1-YL]METHYL}-1H-1,3-BENZODIAZOLE

L276-0031 Screening compound: 1-METHYL-5-(PYRROLIDINE-1-CARBONYL)-2-{[4-(THIOPHENE-2-SULFONYL)PIPERAZIN-1-YL]METHYL}-1H-1,3-BENZODIAZOLE
L276-0031 Screening compound: 1-METHYL-5-(PYRROLIDINE-1-CARBONYL)-2-{[4-(THIOPHENE-2-SULFONYL)PIPERAZIN-1-YL]METHYL}-1H-1,3-BENZODIAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound L276-0031
1-METHYL-5-(PYRROLIDINE-1-CARBONYL)-2-{[4-(THIOPHENE-2-SULFONYL)PIPERAZIN-1-YL]METHYL}-1H-1,3-BENZODIAZOLE

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

L276-0031

Molecular Formula

C22H27N5O3S2 (C22 H27 N5 O3 S2)

Compound Name

1-METHYL-5-(PYRROLIDINE-1-CARBONYL)-2-{[4-(THIOPHENE-2-SULFONYL)PIPERAZIN-1-YL]METHYL}-1H-1,3-BENZODIAZOLE

IUPAC name

n/a

SMILES

Cn1c(ccc(C(N2CCCC2)=O)c2)c2nc1CN(CC1)CCN1S(c1cccs1)(=O)=O

InChI

InChI=1S/C22H27N5O3S2/c1-24-19-7-6-17(22(28)26-8-2-3-9-26)15-18(19)23-20(24)16-25-10-12-27(13-11-25)32(29,30)21-5-4-14-31-21/h4-7,14-15H,2-3,8-13,16H2,1H3

InChI Key

DQXIKNQBYRJQGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15122452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.582

Distribution Coefficient, logD

1.371

Water Solubility, LogSw

-2.44

Polar Surface Area

65.509

Acid Dissociation Constant (pKa)

26.49

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

L276-0031 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L276-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L276-0031?
Check Price and Availability of L276-0031, 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 L276-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L276-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L276-0031
  • 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 L276-0031 available by request