5696-0036 Screening compound: 1-(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)-4-(diphenylmethyl)piperazine

5696-0036 Screening compound: 1-(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)-4-(diphenylmethyl)piperazine
5696-0036 Screening compound: 1-(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)-4-(diphenylmethyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5696-0036
1-(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)-4-(diphenylmethyl)piperazine

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

5696-0036

Molecular Formula

C28H29N5O2 (C28 H29 N5 O2)

Compound Name

1-(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)-4-(diphenylmethyl)piperazine

IUPAC name

1-(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)-4-(diphenylmethyl)piperazine

SMILES

Cc(n1Cc2ccccc2)nc([N+]([O-])=O)c1N(CC1)CCN1C(c1ccccc1)c1ccccc1

InChI

InChI=1S/C28H29N5O2/c1-22-29-27(33(34)35)28(32(22)21-23-11-5-2-6-12-23)31-19-17-30(18-20-31)26(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,26H,17-21H2,1H3

InChI Key

KHVYUQVVJYOVAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03130421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.722

Distribution Coefficient, logD

5.610

Water Solubility, LogSw

-5.61

Polar Surface Area

49.589

Acid Dissociation Constant (pKa)

23.32

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5696-0036 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 5696-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5696-0036?
Check Price and Availability of 5696-0036, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5696-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5696-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5696-0036
  • 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 5696-0036 available by request