1187-0163 Screening compound: 4-anilino-1-{2,2,2-trichloro[chloro(phenyl)methyl]ethanimidoyl}-2(1H)-pyrimidinone

1187-0163 Screening compound: 4-anilino-1-{2,2,2-trichloro[chloro(phenyl)methyl]ethanimidoyl}-2(1H)-pyrimidinone
1187-0163 Screening compound: 4-anilino-1-{2,2,2-trichloro[chloro(phenyl)methyl]ethanimidoyl}-2(1H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-0163
4-anilino-1-{2,2,2-trichloro[chloro(phenyl)methyl]ethanimidoyl}-2(1H)-pyrimidinone

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

1187-0163

Molecular Formula

C19H14Cl4N4O (C19 H14 Cl4 N4 O)

Compound Name

4-anilino-1-{2,2,2-trichloro[chloro(phenyl)methyl]ethanimidoyl}-2(1H)-pyrimidinone

IUPAC name

4-(phenylamino)-1-[(1E)-222-trichloro-1-{[chloro(phenyl)methyl]imino}ethyl]-12-dihydropyrimidin-2-one

SMILES

O=C(N(C=C1)/C(/C(Cl)(Cl)Cl)=N/C(c2ccccc2)Cl)N=C1Nc1ccccc1

InChI

InChI=1S/C19H14Cl4N4O/c20-16(13-7-3-1-4-8-13)26-17(19(21,22)23)27-12-11-15(25-18(27)28)24-14-9-5-2-6-10-14/h1-12,16H,(H,24,25,28)/t16-/m1/s1

InChI Key

ZEHRKWKTQWKYAD-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.16

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.652

Distribution Coefficient, logD

5.652

Water Solubility, LogSw

-6.21

Polar Surface Area

42.947

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.53

References: we are preparing a list of scientific research reports with 1187-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-0163?
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What is the minimum amount of 1187-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-0163
  • 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 1187-0163 available by request