F042-1140 Screening compound: 1-cyclohexyl-3-(4-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)urea

F042-1140 Screening compound: 1-cyclohexyl-3-(4-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)urea
F042-1140 Screening compound: 1-cyclohexyl-3-(4-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F042-1140
1-cyclohexyl-3-(4-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)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

F042-1140

Molecular Formula

C21H27N5O4S (C21 H27 N5 O4 S)

Compound Name

1-cyclohexyl-3-(4-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)urea

IUPAC name

1-cyclohexyl-3-(4-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-13-thiazol-2-yl)urea

SMILES

O=C(Cc1csc(NC(NC2CCCCC2)=O)n1)N(CC1)CCN1C(c1ccco1)=O

InChI

InChI=1S/C21H27N5O4S/c27-18(25-8-10-26(11-9-25)19(28)17-7-4-12-30-17)13-16-14-31-21(23-16)24-20(29)22-15-5-2-1-3-6-15/h4,7,12,14-15H,1-3,5-6,8-11,13H2,(H2,22,23,24,29)

InChI Key

UMTHOIGMSIUPJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08535114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.356

Distribution Coefficient, logD

2.356

Water Solubility, LogSw

-2.78

Polar Surface Area

85.286

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

F042-1140 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F042-1140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F042-1140?
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What is the minimum amount of F042-1140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F042-1140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F042-1140
  • 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 F042-1140 available by request