Y040-5511 Screening compound: 2-(2,6-dichlorophenyl)-N~5~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

Y040-5511 Screening compound: 2-(2,6-dichlorophenyl)-N~5~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
Y040-5511 Screening compound: 2-(2,6-dichlorophenyl)-N~5~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-methyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5511
2-(2,6-dichlorophenyl)-N~5~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

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

Y040-5511

Molecular Formula

C15H14Cl2N2O3S2 (C15 H14 Cl2 N2 O3 S2)

Compound Name

2-(2,6-dichlorophenyl)-N~5~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

IUPAC name

2-(26-dichlorophenyl)-N-(11-dioxo-1lambda6-thiolan-3-yl)-4-methyl-13-thiazole-5-carboxamide

SMILES

Cc1c(C(NC(CC2)CS2(=O)=O)=O)sc(-c(c(Cl)ccc2)c2Cl)n1

InChI

InChI=1S/C15H14Cl2N2O3S2/c1-8-13(14(20)19-9-5-6-24(21,22)7-9)23-15(18-8)12-10(16)3-2-4-11(12)17/h2-4,9H,5-7H2,1H3,(H,19,20)/t9-/m0/s1

InChI Key

BCCRHXGQMLZQOX-VIFPVBQESA-N

MDL Number (MFCD)

MFCD12202934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.616

Distribution Coefficient, logD

2.616

Water Solubility, LogSw

-3.67

Polar Surface Area

63.125

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with Y040-5511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5511?
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What is the minimum amount of Y040-5511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5511
  • 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 Y040-5511 available by request