Y031-6175 Screening compound: 1-(2-methoxyphenyl)-4-[3-(pyrrolidine-1-sulfonyl)benzoyl]piperazine

Y031-6175 Screening compound: 1-(2-methoxyphenyl)-4-[3-(pyrrolidine-1-sulfonyl)benzoyl]piperazine
Y031-6175 Screening compound: 1-(2-methoxyphenyl)-4-[3-(pyrrolidine-1-sulfonyl)benzoyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6175
1-(2-methoxyphenyl)-4-[3-(pyrrolidine-1-sulfonyl)benzoyl]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

Y031-6175

Molecular Formula

C22H27N3O4S (C22 H27 N3 O4 S)

Compound Name

1-(2-methoxyphenyl)-4-[3-(pyrrolidine-1-sulfonyl)benzoyl]piperazine

IUPAC name

1-(2-methoxyphenyl)-4-[3-(pyrrolidine-1-sulfonyl)benzoyl]piperazine

SMILES

COc(cccc1)c1N(CC1)CCN1C(c1cccc(S(N2CCCC2)(=O)=O)c1)=O

InChI

InChI=1S/C22H27N3O4S/c1-29-21-10-3-2-9-20(21)23-13-15-24(16-14-23)22(26)18-7-6-8-19(17-18)30(27,28)25-11-4-5-12-25/h2-3,6-10,17H,4-5,11-16H2,1H3

InChI Key

QNBQPYLHINWBJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05361883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.501

Distribution Coefficient, logD

2.501

Water Solubility, LogSw

-2.79

Polar Surface Area

59.553

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

Y031-6175 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y031-6175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6175?
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What is the minimum amount of Y031-6175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6175
  • 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 Y031-6175 available by request