C545-0451 Screening compound: 1-(3-chloro-2-methylphenyl)-3-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]thiourea

C545-0451 Screening compound: 1-(3-chloro-2-methylphenyl)-3-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]thiourea
C545-0451 Screening compound: 1-(3-chloro-2-methylphenyl)-3-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C545-0451
1-(3-chloro-2-methylphenyl)-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

C545-0451

Molecular Formula

C21H22ClN3S (C21 H22 ClN3 S)

Compound Name

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

IUPAC name

1-(3-chloro-2-methylphenyl)-3-[(2349-tetrahydro-1H-carbazol-6-yl)methyl]thiourea

SMILES

Cc(c(NC(NCc(cc1)cc2c1[nH]c1c2CCCC1)=S)ccc1)c1Cl

InChI

InChI=1S/C21H22ClN3S/c1-13-17(22)6-4-8-18(13)25-21(26)23-12-14-9-10-20-16(11-14)15-5-2-3-7-19(15)24-20/h4,6,8-11,24H,2-3,5,7,12H2,1H3,(H2,23,25,26)

InChI Key

RDLVZTCOUZCTKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04469572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.94

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.926

Distribution Coefficient, logD

4.926

Water Solubility, LogSw

-5.02

Polar Surface Area

30.456

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C545-0451 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C545-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C545-0451?
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What is the minimum amount of C545-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C545-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C545-0451
  • 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 C545-0451 available by request