K788-5353 Screening compound: 3-(butan-2-yl)-3-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-(5-chloro-2-methoxyphenyl)thiourea

K788-5353 Screening compound: 3-(butan-2-yl)-3-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-(5-chloro-2-methoxyphenyl)thiourea
K788-5353 Screening compound: 3-(butan-2-yl)-3-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-(5-chloro-2-methoxyphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5353
3-(butan-2-yl)-3-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-(5-chloro-2-methoxyphenyl)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

K788-5353

Molecular Formula

C26H36ClN3OS (C26 H36 ClN3 OS)

Compound Name

3-(butan-2-yl)-3-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-(5-chloro-2-methoxyphenyl)thiourea

IUPAC name

3-(butan-2-yl)-3-[(1-butyl-1234-tetrahydroquinolin-6-yl)methyl]-1-(5-chloro-2-methoxyphenyl)thiourea

SMILES

CCCCN(CCC1)c2c1cc(CN(C(C)CC)C(Nc(cc(cc1)Cl)c1OC)=S)cc2

InChI

InChI=1S/C26H36ClN3OS/c1-5-7-14-29-15-8-9-21-16-20(10-12-24(21)29)18-30(19(3)6-2)26(32)28-23-17-22(27)11-13-25(23)31-4/h10-13,16-17,19H,5-9,14-15,18H2,1-4H3,(H,28,32)/t19-/m0/s1

InChI Key

DXQODKFGZIUHDN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15105661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.11

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.260

Distribution Coefficient, logD

6.786

Water Solubility, LogSw

-6.52

Polar Surface Area

19.773

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

K788-5353 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K788-5353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5353?
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What is the minimum amount of K788-5353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5353
  • 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 K788-5353 available by request