C388-0549 Screening compound: 3-(butan-2-yl)-1-(3,5-dichlorophenyl)-3-[(1-ethyl-1H-indol-3-yl)methyl]thiourea

C388-0549 Screening compound: 3-(butan-2-yl)-1-(3,5-dichlorophenyl)-3-[(1-ethyl-1H-indol-3-yl)methyl]thiourea
C388-0549 Screening compound: 3-(butan-2-yl)-1-(3,5-dichlorophenyl)-3-[(1-ethyl-1H-indol-3-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C388-0549
3-(butan-2-yl)-1-(3,5-dichlorophenyl)-3-[(1-ethyl-1H-indol-3-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

C388-0549

Molecular Formula

C22H25Cl2N3S (C22 H25 Cl2 N3 S)

Compound Name

3-(butan-2-yl)-1-(3,5-dichlorophenyl)-3-[(1-ethyl-1H-indol-3-yl)methyl]thiourea

IUPAC name

3-(butan-2-yl)-1-(35-dichlorophenyl)-3-[(1-ethyl-1H-indol-3-yl)methyl]thiourea

SMILES

CCC(C)N(Cc1cn(CC)c2c1cccc2)C(Nc1cc(Cl)cc(Cl)c1)=S

InChI

InChI=1S/C22H25Cl2N3S/c1-4-15(3)27(22(28)25-19-11-17(23)10-18(24)12-19)14-16-13-26(5-2)21-9-7-6-8-20(16)21/h6-13,15H,4-5,14H2,1-3H3,(H,25,28)/t15-/m0/s1

InChI Key

LIJWDLGRKHBPIQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD26964932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.43

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.216

Distribution Coefficient, logD

7.216

Water Solubility, LogSw

-6.65

Polar Surface Area

11.756

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with C388-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C388-0549?
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What is the minimum amount of C388-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C388-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C388-0549
  • 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 C388-0549 available by request