C388-0608 Screening compound: ethyl 4-({[(1-ethyl-1H-indol-3-yl)methyl](propan-2-yl)carbamothioyl}amino)benzoate

C388-0608 Screening compound: ethyl 4-({[(1-ethyl-1H-indol-3-yl)methyl](propan-2-yl)carbamothioyl}amino)benzoate
C388-0608 Screening compound: ethyl 4-({[(1-ethyl-1H-indol-3-yl)methyl](propan-2-yl)carbamothioyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C388-0608
ethyl 4-({[(1-ethyl-1H-indol-3-yl)methyl](propan-2-yl)carbamothioyl}amino)benzoate

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

C388-0608

Molecular Formula

C24H29N3O2S (C24 H29 N3 O2 S)

Compound Name

ethyl 4-({[(1-ethyl-1H-indol-3-yl)methyl](propan-2-yl)carbamothioyl}amino)benzoate

IUPAC name

ethyl 4-({[(1-ethyl-1H-indol-3-yl)methyl](propan-2-yl)carbamothioyl}amino)benzoate

SMILES

CCn1c(cccc2)c2c(CN(C(C)C)C(Nc(cc2)ccc2C(OCC)=O)=S)c1

InChI

InChI=1S/C24H29N3O2S/c1-5-26-15-19(21-9-7-8-10-22(21)26)16-27(17(3)4)24(30)25-20-13-11-18(12-14-20)23(28)29-6-2/h7-15,17H,5-6,16H2,1-4H3,(H,25,30)

InChI Key

BEBLNFLCWNZJIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.822

Distribution Coefficient, logD

5.822

Water Solubility, LogSw

-5.67

Polar Surface Area

32.925

Acid Dissociation Constant (pKa)

14.06

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C388-0608 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C388-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C388-0608?
Check Price and Availability of C388-0608, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C388-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C388-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C388-0608
  • 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 C388-0608 available by request