C388-0561 Screening compound: 3-(butan-2-yl)-1-(4-chloro-2-methoxyphenyl)-3-[(1-ethyl-1H-indol-3-yl)methyl]thiourea

C388-0561 Screening compound: 3-(butan-2-yl)-1-(4-chloro-2-methoxyphenyl)-3-[(1-ethyl-1H-indol-3-yl)methyl]thiourea
C388-0561 Screening compound: 3-(butan-2-yl)-1-(4-chloro-2-methoxyphenyl)-3-[(1-ethyl-1H-indol-3-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C388-0561
3-(butan-2-yl)-1-(4-chloro-2-methoxyphenyl)-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

C388-0561

Molecular Formula

C23H28ClN3OS (C23 H28 ClN3 OS)

Compound Name

3-(butan-2-yl)-1-(4-chloro-2-methoxyphenyl)-3-[(1-ethyl-1H-indol-3-yl)methyl]thiourea

IUPAC name

3-(butan-2-yl)-1-(4-chloro-2-methoxyphenyl)-3-[(1-ethyl-1H-indol-3-yl)methyl]thiourea

SMILES

CCC(C)N(Cc1cn(CC)c2c1cccc2)C(Nc(ccc(Cl)c1)c1OC)=S

InChI

InChI=1S/C23H28ClN3OS/c1-5-16(3)27(23(29)25-20-12-11-18(24)13-22(20)28-4)15-17-14-26(6-2)21-10-8-7-9-19(17)21/h7-14,16H,5-6,15H2,1-4H3,(H,25,29)/t16-/m0/s1

InChI Key

WAFPMQZHKQUIGY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD26964937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.01

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.687

Distribution Coefficient, logD

6.687

Water Solubility, LogSw

-6.45

Polar Surface Area

18.689

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

C388-0561 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 C388-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C388-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C388-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C388-0561
  • 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 C388-0561 available by request