K788-2429 Screening compound: 3-[(E)-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]-1-(3-methoxyphenyl)thiourea

K788-2429 Screening compound: 3-[(E)-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]-1-(3-methoxyphenyl)thiourea
K788-2429 Screening compound: 3-[(E)-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]-1-(3-methoxyphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-2429
3-[(E)-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]-1-(3-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

K788-2429

Molecular Formula

C20H19FN4OS (C20 H19 FN4 OS)

Compound Name

3-[(E)-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]-1-(3-methoxyphenyl)thiourea

IUPAC name

3-[(E)-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methylidene)amino]-1-(3-methoxyphenyl)thiourea

SMILES

COc1cccc(NC(N/N=C/c2cccn2Cc(cccc2)c2F)=S)c1

InChI

InChI=1S/C20H19FN4OS/c1-26-18-9-4-7-16(12-18)23-20(27)24-22-13-17-8-5-11-25(17)14-15-6-2-3-10-19(15)21/h2-13H,14H2,1H3,(H2,23,24,27)

InChI Key

PEUKDOUCYXCWSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.332

Distribution Coefficient, logD

5.332

Water Solubility, LogSw

-5.45

Polar Surface Area

40.900

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with K788-2429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-2429?
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What is the minimum amount of K788-2429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-2429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-2429
  • 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 K788-2429 available by request