1187-0891 Screening compound: N-{2,2-dichloro-1-[(4-chlorophenyl)formamido]ethyl}-4-methylbenzamide

1187-0891 Screening compound: N-{2,2-dichloro-1-[(4-chlorophenyl)formamido]ethyl}-4-methylbenzamide
1187-0891 Screening compound: N-{2,2-dichloro-1-[(4-chlorophenyl)formamido]ethyl}-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-0891
N-{2,2-dichloro-1-[(4-chlorophenyl)formamido]ethyl}-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

1187-0891

Molecular Formula

C17H15Cl3N2O2 (C17 H15 Cl3 N2 O2)

Compound Name

N-{2,2-dichloro-1-[(4-chlorophenyl)formamido]ethyl}-4-methylbenzamide

IUPAC name

N-{22-dichloro-1-[(4-chlorophenyl)formamido]ethyl}-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(NC(C(Cl)Cl)NC(c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C17H15Cl3N2O2/c1-10-2-4-11(5-3-10)16(23)21-15(14(19)20)22-17(24)12-6-8-13(18)9-7-12/h2-9,14-15H,1H3,(H,21,23)(H,22,24)/t15-/m0/s1

InChI Key

HSKDIYKOIUGRNB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01409271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.926

Distribution Coefficient, logD

3.348

Water Solubility, LogSw

-4.43

Polar Surface Area

47.628

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

-8.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

1187-0891 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1187-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-0891?
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What is the minimum amount of 1187-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-0891
  • 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 1187-0891 available by request