1187-0997 Screening compound: N-[4-(dichloromethyl)-5-imino-2-phenyl-4,5-dihydro-1H-imidazol-4-yl]-4-methylbenzamide

1187-0997 Screening compound: N-[4-(dichloromethyl)-5-imino-2-phenyl-4,5-dihydro-1H-imidazol-4-yl]-4-methylbenzamide
1187-0997 Screening compound: N-[4-(dichloromethyl)-5-imino-2-phenyl-4,5-dihydro-1H-imidazol-4-yl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-0997
N-[4-(dichloromethyl)-5-imino-2-phenyl-4,5-dihydro-1H-imidazol-4-yl]-4-methylbenzamide

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

1187-0997

Molecular Formula

C18H16Cl2N4O (C18 H16 Cl2 N4 O)

Compound Name

N-[4-(dichloromethyl)-5-imino-2-phenyl-4,5-dihydro-1H-imidazol-4-yl]-4-methylbenzamide

IUPAC name

N-[4-(dichloromethyl)-5-imino-2-phenyl-45-dihydro-1H-imidazol-4-yl]-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(NC1(C(Cl)Cl)N=C(c2ccccc2)NC1=N)=O

InChI

InChI=1S/C18H16Cl2N4O/c1-11-7-9-13(10-8-11)15(25)24-18(16(19)20)17(21)22-14(23-18)12-5-3-2-4-6-12/h2-10,16H,1H3,(H,24,25)(H2,21,22,23)/t18-/m1/s1

InChI Key

CZKAVWOTGBJDLU-GOSISDBHSA-N

MDL Number (MFCD)

MFCD00522039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.459

Distribution Coefficient, logD

3.459

Water Solubility, LogSw

-3.64

Polar Surface Area

64.124

Acid Dissociation Constant (pKa)

6.67

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

1187-0997 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1187-0997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-0997?
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What is the minimum amount of 1187-0997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-0997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-0997
  • 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 1187-0997 available by request