C545-0440 Screening compound: 1-(2,6-diethylphenyl)-3-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]thiourea

C545-0440 Screening compound: 1-(2,6-diethylphenyl)-3-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]thiourea
C545-0440 Screening compound: 1-(2,6-diethylphenyl)-3-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C545-0440
1-(2,6-diethylphenyl)-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

C545-0440

Molecular Formula

C24H29N3S (C24 H29 N3 S)

Compound Name

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

IUPAC name

1-(26-diethylphenyl)-3-[(2349-tetrahydro-1H-carbazol-6-yl)methyl]thiourea

SMILES

CCc1cccc(CC)c1NC(NCc(cc1)cc2c1[nH]c1c2CCCC1)=S

InChI

InChI=1S/C24H29N3S/c1-3-17-8-7-9-18(4-2)23(17)27-24(28)25-15-16-12-13-22-20(14-16)19-10-5-6-11-21(19)26-22/h7-9,12-14,26H,3-6,10-11,15H2,1-2H3,(H2,25,27,28)

InChI Key

KEDZWPUQYNUAIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04469561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.58

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.006

Distribution Coefficient, logD

5.006

Water Solubility, LogSw

-4.77

Polar Surface Area

29.758

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with C545-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C545-0440?
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What is the minimum amount of C545-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C545-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C545-0440
  • 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 C545-0440 available by request