K788-4600 Screening compound: 1-(3-ethylphenyl)-3-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-[3-(morpholin-4-yl)propyl]thiourea

K788-4600 Screening compound: 1-(3-ethylphenyl)-3-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-[3-(morpholin-4-yl)propyl]thiourea
K788-4600 Screening compound: 1-(3-ethylphenyl)-3-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-[3-(morpholin-4-yl)propyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-4600
1-(3-ethylphenyl)-3-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-[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

K788-4600

Molecular Formula

C27H35N3O3S (C27 H35 N3 O3 S)

Compound Name

1-(3-ethylphenyl)-3-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-[3-(morpholin-4-yl)propyl]thiourea

IUPAC name

1-(3-ethylphenyl)-3-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-[3-(morpholin-4-yl)propyl]thiourea

SMILES

CCc1cccc(NC(N(CCCN2CCOCC2)C(C)c2cc(cccc3OC)c3o2)=S)c1

InChI

InChI=1S/C27H35N3O3S/c1-4-21-8-5-10-23(18-21)28-27(34)30(13-7-12-29-14-16-32-17-15-29)20(2)25-19-22-9-6-11-24(31-3)26(22)33-25/h5-6,8-11,18-20H,4,7,12-17H2,1-3H3,(H,28,34)/t20-/m0/s1

InChI Key

OOESLWXGLWKSKM-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15105084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.246

Distribution Coefficient, logD

5.067

Water Solubility, LogSw

-5.77

Polar Surface Area

37.818

Acid Dissociation Constant (pKa)

15.80

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

K788-4600 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K788-4600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4600?
Check Price and Availability of K788-4600, 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 K788-4600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4600
  • 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 K788-4600 available by request