K788-4605 Screening compound: 3-(3-chloro-4-methylphenyl)-1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-[3-(morpholin-4-yl)propyl]thiourea

K788-4605 Screening compound: 3-(3-chloro-4-methylphenyl)-1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-[3-(morpholin-4-yl)propyl]thiourea
K788-4605 Screening compound: 3-(3-chloro-4-methylphenyl)-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 K788-4605
3-(3-chloro-4-methylphenyl)-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

K788-4605

Molecular Formula

C26H32ClN3O3S (C26 H32 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(c1cc(cccc2OC)c2o1)N(CCCN1CCOCC1)C(Nc1cc(Cl)c(C)cc1)=S

InChI

InChI=1S/C26H32ClN3O3S/c1-18-8-9-21(17-22(18)27)28-26(34)30(11-5-10-29-12-14-32-15-13-29)19(2)24-16-20-6-4-7-23(31-3)25(20)33-24/h4,6-9,16-17,19H,5,10-15H2,1-3H3,(H,28,34)/t19-/m0/s1

InChI Key

AXBUAJQMNBQKPA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15105089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.08

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

5.846

Distribution Coefficient, logD

5.667

Water Solubility, LogSw

-6.28

Polar Surface Area

37.818

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

K788-4605 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K788-4605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4605?
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What is the minimum amount of K788-4605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4605
  • 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 K788-4605 available by request