C545-0442 Screening compound: 1-(3-methoxyphenyl)-3-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]thiourea

C545-0442 Screening compound: 1-(3-methoxyphenyl)-3-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]thiourea
C545-0442 Screening compound: 1-(3-methoxyphenyl)-3-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C545-0442
1-(3-methoxyphenyl)-3-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]thiourea

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

C545-0442

Molecular Formula

C21H23N3OS (C21 H23 N3 OS)

Compound Name

1-(3-methoxyphenyl)-3-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]thiourea

IUPAC name

1-(3-methoxyphenyl)-3-[(2349-tetrahydro-1H-carbazol-6-yl)methyl]thiourea

SMILES

COc1cccc(NC(NCc(cc2)cc3c2[nH]c2c3CCCC2)=S)c1

InChI

InChI=1S/C21H23N3OS/c1-25-16-6-4-5-15(12-16)23-21(26)22-13-14-9-10-20-18(11-14)17-7-2-3-8-19(17)24-20/h4-6,9-12,24H,2-3,7-8,13H2,1H3,(H2,22,23,26)

InChI Key

PIPAGZRWTRDWQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04469563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.943

Distribution Coefficient, logD

3.943

Water Solubility, LogSw

-4.27

Polar Surface Area

38.697

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C545-0442 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C545-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C545-0442?
Check Price and Availability of C545-0442, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C545-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C545-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C545-0442
  • 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 C545-0442 available by request