C388-0014 Screening compound: 1-(3,5-difluorophenyl)-3-[(1H-indol-3-yl)methyl]-3-(propan-2-yl)thiourea

C388-0014 Screening compound: 1-(3,5-difluorophenyl)-3-[(1H-indol-3-yl)methyl]-3-(propan-2-yl)thiourea
C388-0014 Screening compound: 1-(3,5-difluorophenyl)-3-[(1H-indol-3-yl)methyl]-3-(propan-2-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C388-0014
1-(3,5-difluorophenyl)-3-[(1H-indol-3-yl)methyl]-3-(propan-2-yl)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

C388-0014

Molecular Formula

C19H19F2N3S (C19 H19 F2 N3 S)

Compound Name

1-(3,5-difluorophenyl)-3-[(1H-indol-3-yl)methyl]-3-(propan-2-yl)thiourea

IUPAC name

1-(35-difluorophenyl)-3-[(1H-indol-3-yl)methyl]-3-(propan-2-yl)thiourea

SMILES

CC(C)N(Cc1c[nH]c2c1cccc2)C(Nc1cc(F)cc(F)c1)=S

InChI

InChI=1S/C19H19F2N3S/c1-12(2)24(11-13-10-22-18-6-4-3-5-17(13)18)19(25)23-16-8-14(20)7-15(21)9-16/h3-10,12,22H,11H2,1-2H3,(H,23,25)

InChI Key

YIFLQPWHXLXCDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.44

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.346

Distribution Coefficient, logD

5.346

Water Solubility, LogSw

-5.79

Polar Surface Area

20.314

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

C388-0014 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C388-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C388-0014?
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What is the minimum amount of C388-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C388-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C388-0014
  • 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 C388-0014 available by request