Y043-1044 Screening compound: 5-{4-[(4-fluorophenyl)sulfonyl]piperazino}-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopentanamide

Y043-1044 Screening compound: 5-{4-[(4-fluorophenyl)sulfonyl]piperazino}-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopentanamide
Y043-1044 Screening compound: 5-{4-[(4-fluorophenyl)sulfonyl]piperazino}-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-1044
5-{4-[(4-fluorophenyl)sulfonyl]piperazino}-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopentanamide

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

Y043-1044

Molecular Formula

C18H22FN5O4S2 (C18 H22 FN5 O4 S2)

Compound Name

5-{4-[(4-fluorophenyl)sulfonyl]piperazino}-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopentanamide

IUPAC name

5-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-N-(5-methyl-134-thiadiazol-2-yl)-5-oxopentanamide

SMILES

Cc1nnc(NC(CCCC(N(CC2)CCN2S(c(cc2)ccc2F)(=O)=O)=O)=O)s1

InChI

InChI=1S/C18H22FN5O4S2/c1-13-21-22-18(29-13)20-16(25)3-2-4-17(26)23-9-11-24(12-10-23)30(27,28)15-7-5-14(19)6-8-15/h5-8H,2-4,9-12H2,1H3,(H,20,22,25)

InChI Key

QOJJRWLFFMCYHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18068573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.740

Distribution Coefficient, logD

0.651

Water Solubility, LogSw

-2.39

Polar Surface Area

94.379

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

References: we are preparing a list of scientific research reports with Y043-1044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-1044?
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What is the minimum amount of Y043-1044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-1044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-1044
  • 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 Y043-1044 available by request