Y041-4338 Screening compound: 3-{4-[5-bromo-2-(1H-1,2,3,4-tetraazol-1-yl)benzoyl]piperazino}tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

Y041-4338 Screening compound: 3-{4-[5-bromo-2-(1H-1,2,3,4-tetraazol-1-yl)benzoyl]piperazino}tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
Y041-4338 Screening compound: 3-{4-[5-bromo-2-(1H-1,2,3,4-tetraazol-1-yl)benzoyl]piperazino}tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4338
3-{4-[5-bromo-2-(1H-1,2,3,4-tetraazol-1-yl)benzoyl]piperazino}tetrahydro-1H-1lambda~6~-thiophene-1,1-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

Y041-4338

Molecular Formula

C16H19BrN6O3S (C16 H19 BrN6 O3 S)

Compound Name

3-{4-[5-bromo-2-(1H-1,2,3,4-tetraazol-1-yl)benzoyl]piperazino}tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

3-{4-[5-bromo-2-(1H-1234-tetrazol-1-yl)benzoyl]piperazin-1-yl}-1lambda6-thiolane-11-dione

SMILES

O=C(c(cc(cc1)Br)c1-n1nnnc1)N(CC1)CCN1C(CC1)CS1(=O)=O

InChI

InChI=1S/C16H19BrN6O3S/c17-12-1-2-15(23-11-18-19-20-23)14(9-12)16(24)22-6-4-21(5-7-22)13-3-8-27(25,26)10-13/h1-2,9,11,13H,3-8,10H2/t13-/m0/s1

InChI Key

WEIYGGLPNOXPFQ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD19709621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.324

Distribution Coefficient, logD

0.324

Water Solubility, LogSw

-2.35

Polar Surface Area

87.882

Acid Dissociation Constant (pKa)

20.44

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

Y041-4338 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-4338 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y041-4338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4338
  • 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 Y041-4338 available by request