K788-3733 Screening compound: 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3,5-difluorophenyl)-1-[3-(morpholin-4-yl)propyl]thiourea

K788-3733 Screening compound: 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3,5-difluorophenyl)-1-[3-(morpholin-4-yl)propyl]thiourea
K788-3733 Screening compound: 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3,5-difluorophenyl)-1-[3-(morpholin-4-yl)propyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3733
1-[1-(1-benzofuran-2-yl)ethyl]-3-(3,5-difluorophenyl)-1-[3-(morpholin-4-yl)propyl]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

K788-3733

Molecular Formula

C24H27F2N3O2S (C24 H27 F2 N3 O2 S)

Compound Name

1-[1-(1-benzofuran-2-yl)ethyl]-3-(3,5-difluorophenyl)-1-[3-(morpholin-4-yl)propyl]thiourea

IUPAC name

1-[1-(1-benzofuran-2-yl)ethyl]-3-(35-difluorophenyl)-1-[3-(morpholin-4-yl)propyl]thiourea

SMILES

CC(c1cc(cccc2)c2o1)N(CCCN1CCOCC1)C(Nc1cc(F)cc(F)c1)=S

InChI

InChI=1S/C24H27F2N3O2S/c1-17(23-13-18-5-2-3-6-22(18)31-23)29(8-4-7-28-9-11-30-12-10-28)24(32)27-21-15-19(25)14-20(26)16-21/h2-3,5-6,13-17H,4,7-12H2,1H3,(H,27,32)/t17-/m0/s1

InChI Key

XPHFOQQCFHJPCY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15104621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.262

Distribution Coefficient, logD

5.083

Water Solubility, LogSw

-5.82

Polar Surface Area

29.954

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

K788-3733 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K788-3733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3733?
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What is the minimum amount of K788-3733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3733
  • 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 K788-3733 available by request