K788-4625 Screening compound: 3-(2,3-dimethylphenyl)-1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-[3-(morpholin-4-yl)propyl]thiourea

K788-4625 Screening compound: 3-(2,3-dimethylphenyl)-1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-[3-(morpholin-4-yl)propyl]thiourea
K788-4625 Screening compound: 3-(2,3-dimethylphenyl)-1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-[3-(morpholin-4-yl)propyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-4625
3-(2,3-dimethylphenyl)-1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-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

K788-4625

Molecular Formula

C27H35N3O3S (C27 H35 N3 O3 S)

Compound Name

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

IUPAC name

3-(23-dimethylphenyl)-1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-[3-(morpholin-4-yl)propyl]thiourea

SMILES

CC(c1cc(cccc2OC)c2o1)N(CCCN1CCOCC1)C(Nc1c(C)c(C)ccc1)=S

InChI

InChI=1S/C27H35N3O3S/c1-19-8-5-10-23(20(19)2)28-27(34)30(13-7-12-29-14-16-32-17-15-29)21(3)25-18-22-9-6-11-24(31-4)26(22)33-25/h5-6,8-11,18,21H,7,12-17H2,1-4H3,(H,28,34)/t21-/m0/s1

InChI Key

SNXDWHBPMFWDKE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15105104

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

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.430

Distribution Coefficient, logD

5.251

Water Solubility, LogSw

-6.23

Polar Surface Area

37.120

Acid Dissociation Constant (pKa)

15.54

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

K788-4625 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 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 K788-4625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4625?
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What is the minimum amount of K788-4625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4625
  • 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 K788-4625 available by request