K018-0091 Screening compound: 5-(4-chlorophenyl)-3-[(E)-[(2,4-dichlorophenyl)methylidene]amino]-3H,4H-thieno[2,3-d]pyrimidin-4-one

K018-0091 Screening compound: 5-(4-chlorophenyl)-3-[(E)-[(2,4-dichlorophenyl)methylidene]amino]-3H,4H-thieno[2,3-d]pyrimidin-4-one
K018-0091 Screening compound: 5-(4-chlorophenyl)-3-[(E)-[(2,4-dichlorophenyl)methylidene]amino]-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K018-0091
5-(4-chlorophenyl)-3-[(E)-[(2,4-dichlorophenyl)methylidene]amino]-3H,4H-thieno[2,3-d]pyrimidin-4-one

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

K018-0091

Molecular Formula

C19H10Cl3N3OS (C19 H10 Cl3 N3 OS)

Compound Name

5-(4-chlorophenyl)-3-[(E)-[(2,4-dichlorophenyl)methylidene]amino]-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

5-(4-chlorophenyl)-3-[(E)-[(24-dichlorophenyl)methylidene]amino]-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

O=C(c1c(N=C2)scc1-c(cc1)ccc1Cl)N2/N=C/c(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C19H10Cl3N3OS/c20-13-4-1-11(2-5-13)15-9-27-18-17(15)19(26)25(10-23-18)24-8-12-3-6-14(21)7-16(12)22/h1-10H

InChI Key

FVNQJZBOHANRCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.73

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.068

Distribution Coefficient, logD

6.066

Water Solubility, LogSw

-6.35

Polar Surface Area

35.845

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with K018-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K018-0091?
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What is the minimum amount of K018-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K018-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K018-0091
  • 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 K018-0091 available by request