K788-5465 Screening compound: 3-[2-(diethylamino)ethyl]-1-(3,5-difluorophenyl)-3-[(1H-indol-3-yl)methyl]thiourea

K788-5465 Screening compound: 3-[2-(diethylamino)ethyl]-1-(3,5-difluorophenyl)-3-[(1H-indol-3-yl)methyl]thiourea
K788-5465 Screening compound: 3-[2-(diethylamino)ethyl]-1-(3,5-difluorophenyl)-3-[(1H-indol-3-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5465
3-[2-(diethylamino)ethyl]-1-(3,5-difluorophenyl)-3-[(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

K788-5465

Molecular Formula

C22H26F2N4S (C22 H26 F2 N4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H26F2N4S/c1-3-27(4-2)9-10-28(15-16-14-25-21-8-6-5-7-20(16)21)22(29)26-19-12-17(23)11-18(24)13-19/h5-8,11-14,25H,3-4,9-10,15H2,1-2H3,(H,26,29)

InChI Key

HDWPCXQFZAYCER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27225559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.261

Distribution Coefficient, logD

2.607

Water Solubility, LogSw

-5.45

Polar Surface Area

23.960

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

10.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with K788-5465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5465?
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What is the minimum amount of K788-5465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5465
  • 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 K788-5465 available by request