Y041-8349 Screening compound: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-(4-fluorophenyl)-4-oxobutanamide

Y041-8349 Screening compound: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-(4-fluorophenyl)-4-oxobutanamide
Y041-8349 Screening compound: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-(4-fluorophenyl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8349
4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-(4-fluorophenyl)-4-oxobutanamide

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

Y041-8349

Molecular Formula

C21H21FN4O2S (C21 H21 FN4 O2 S)

Compound Name

4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-(4-fluorophenyl)-4-oxobutanamide

IUPAC name

4-[4-(12-benzothiazol-3-yl)piperazin-1-yl]-N-(4-fluorophenyl)-4-oxobutanamide

SMILES

O=C(CCC(N(CC1)CCN1c1nsc2c1cccc2)=O)Nc(cc1)ccc1F

InChI

InChI=1S/C21H21FN4O2S/c22-15-5-7-16(8-6-15)23-19(27)9-10-20(28)25-11-13-26(14-12-25)21-17-3-1-2-4-18(17)29-24-21/h1-8H,9-14H2,(H,23,27)

InChI Key

YHNNIXZPRLLAOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13757958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.258

Distribution Coefficient, logD

3.258

Water Solubility, LogSw

-3.44

Polar Surface Area

52.922

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

7.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

Y041-8349 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y041-8349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8349?
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What is the minimum amount of Y041-8349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8349
  • 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 Y041-8349 available by request