K788-7537 Screening compound: 3-(3-chloro-4-fluorophenyl)-1-(propan-2-yl)-1-[2-(pyridin-4-yl)ethyl]thiourea

K788-7537 Screening compound: 3-(3-chloro-4-fluorophenyl)-1-(propan-2-yl)-1-[2-(pyridin-4-yl)ethyl]thiourea
K788-7537 Screening compound: 3-(3-chloro-4-fluorophenyl)-1-(propan-2-yl)-1-[2-(pyridin-4-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-7537
3-(3-chloro-4-fluorophenyl)-1-(propan-2-yl)-1-[2-(pyridin-4-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

K788-7537

Molecular Formula

C17H19ClFN3S (C17 H19 ClFN3 S)

Compound Name

3-(3-chloro-4-fluorophenyl)-1-(propan-2-yl)-1-[2-(pyridin-4-yl)ethyl]thiourea

IUPAC name

3-(3-chloro-4-fluorophenyl)-1-(propan-2-yl)-1-[2-(pyridin-4-yl)ethyl]thiourea

SMILES

CC(C)N(CCc1ccncc1)C(Nc(cc1)cc(Cl)c1F)=S

InChI

InChI=1S/C17H19ClFN3S/c1-12(2)22(10-7-13-5-8-20-9-6-13)17(23)21-14-3-4-16(19)15(18)11-14/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,21,23)

InChI Key

QOWWWQKNXCZUNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.349

Distribution Coefficient, logD

4.304

Water Solubility, LogSw

-4.53

Polar Surface Area

19.850

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

K788-7537 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K788-7537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-7537?
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What is the minimum amount of K788-7537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-7537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-7537
  • 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 K788-7537 available by request