Y042-8102 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N'-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]urea

Y042-8102 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N'-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]urea
Y042-8102 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N'-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-8102
N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N'-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]urea

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

Y042-8102

Molecular Formula

C17H13F5N2O4S (C17 H13 F5 N2 O4 S)

Compound Name

N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N'-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]urea

IUPAC name

3-(11-dioxo-1lambda6-thiolan-3-yl)-1-[4-(23456-pentafluorophenoxy)phenyl]urea

SMILES

O=C(NC(CC1)CS1(=O)=O)Nc(cc1)ccc1Oc(c(F)c(c(F)c1F)F)c1F

InChI

InChI=1S/C17H13F5N2O4S/c18-11-12(19)14(21)16(15(22)13(11)20)28-10-3-1-8(2-4-10)23-17(25)24-9-5-6-29(26,27)7-9/h1-4,9H,5-7H2,(H2,23,24,25)/t9-/m1/s1

InChI Key

YGSJNTXGXCPNEF-SECBINFHSA-N

MDL Number (MFCD)

MFCD02985946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.813

Distribution Coefficient, logD

2.813

Water Solubility, LogSw

-3.61

Polar Surface Area

68.947

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.53

References: we are preparing a list of scientific research reports with Y042-8102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-8102?
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What is the minimum amount of Y042-8102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-8102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-8102
  • 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 Y042-8102 available by request