Y041-5072 Screening compound: 3-{2-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-2-oxoethyl}-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

Y041-5072 Screening compound: 3-{2-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-2-oxoethyl}-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
Y041-5072 Screening compound: 3-{2-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-2-oxoethyl}-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5072
3-{2-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-2-oxoethyl}-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

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

Y041-5072

Molecular Formula

C21H21FN4O5S (C21 H21 FN4 O5 S)

Compound Name

3-{2-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-2-oxoethyl}-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

IUPAC name

(3R)-3-{2-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-2-oxoethyl}-2345-tetrahydro-1H-14-benzodiazepine-25-dione

SMILES

O=C(CC(C(Nc1c2cccc1)=O)NC2=O)N(CC1)CCN1S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C21H21FN4O5S/c22-14-5-7-15(8-6-14)32(30,31)26-11-9-25(10-12-26)19(27)13-18-21(29)23-17-4-2-1-3-16(17)20(28)24-18/h1-8,18H,9-13H2,(H,23,29)(H,24,28)/t18-/m0/s1

InChI Key

RXUWNQBXDIHJIM-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.032

Distribution Coefficient, logD

1.020

Water Solubility, LogSw

-2.51

Polar Surface Area

98.862

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with Y041-5072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5072?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5072
  • 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 Y041-5072 available by request