K788-2030 Screening compound: 1-(3-chloro-2-methylphenyl)-3-[2-(dimethylamino)ethyl]-3-[1-(furan-2-yl)ethyl]thiourea

K788-2030 Screening compound: 1-(3-chloro-2-methylphenyl)-3-[2-(dimethylamino)ethyl]-3-[1-(furan-2-yl)ethyl]thiourea
K788-2030 Screening compound: 1-(3-chloro-2-methylphenyl)-3-[2-(dimethylamino)ethyl]-3-[1-(furan-2-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-2030
1-(3-chloro-2-methylphenyl)-3-[2-(dimethylamino)ethyl]-3-[1-(furan-2-yl)ethyl]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

K788-2030

Molecular Formula

C18H24ClN3OS (C18 H24 ClN3 OS)

Compound Name

1-(3-chloro-2-methylphenyl)-3-[2-(dimethylamino)ethyl]-3-[1-(furan-2-yl)ethyl]thiourea

IUPAC name

1-(3-chloro-2-methylphenyl)-3-[2-(dimethylamino)ethyl]-3-[1-(furan-2-yl)ethyl]thiourea

SMILES

CC(c1ccco1)N(CCN(C)C)C(Nc1cccc(Cl)c1C)=S

InChI

InChI=1S/C18H24ClN3OS/c1-13-15(19)7-5-8-16(13)20-18(24)22(11-10-21(3)4)14(2)17-9-6-12-23-17/h5-9,12,14H,10-11H2,1-4H3,(H,20,24)/t14-/m0/s1

InChI Key

LOZNUSRYBQAASV-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15103548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.93

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.545

Distribution Coefficient, logD

2.004

Water Solubility, LogSw

-4.41

Polar Surface Area

21.788

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

9.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

K788-2030 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K788-2030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-2030?
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What is the minimum amount of K788-2030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-2030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-2030
  • 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 K788-2030 available by request