C545-0459 Screening compound: 1-[2-(1H-indol-1-yl)ethyl]-3-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]thiourea

C545-0459 Screening compound: 1-[2-(1H-indol-1-yl)ethyl]-3-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]thiourea
C545-0459 Screening compound: 1-[2-(1H-indol-1-yl)ethyl]-3-[(2,3,4,9-tetrahydro-1H-carbazol-6-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C545-0459
1-[2-(1H-indol-1-yl)ethyl]-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

C545-0459

Molecular Formula

C24H26N4S (C24 H26 N4 S)

Compound Name

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

IUPAC name

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

SMILES

S=C(NCCn(cc1)c2c1cccc2)NCc(cc1)cc2c1[nH]c1c2CCCC1

InChI

InChI=1S/C24H26N4S/c29-24(25-12-14-28-13-11-18-5-1-4-8-23(18)28)26-16-17-9-10-22-20(15-17)19-6-2-3-7-21(19)27-22/h1,4-5,8-11,13,15,27H,2-3,6-7,12,14,16H2,(H2,25,26,29)

InChI Key

WUIJJDSULKLTJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04469580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.56

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.098

Distribution Coefficient, logD

4.098

Water Solubility, LogSw

-4.29

Polar Surface Area

34.406

Acid Dissociation Constant (pKa)

14.72

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C545-0459 in Drug Discovery

Included in Screening Libraries

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 C545-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C545-0459?
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What is the minimum amount of C545-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C545-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C545-0459
  • 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 C545-0459 available by request