H010-0221C Screening compound: N-CYCLOHEXYL-3-[4-(PROPAN-2-YL)PHENYL]-4,5-DIHYDRO-3H-1,4-BENZODIAZEPIN-2-AMINE

H010-0221C Screening compound: N-CYCLOHEXYL-3-[4-(PROPAN-2-YL)PHENYL]-4,5-DIHYDRO-3H-1,4-BENZODIAZEPIN-2-AMINE
H010-0221C Screening compound: N-CYCLOHEXYL-3-[4-(PROPAN-2-YL)PHENYL]-4,5-DIHYDRO-3H-1,4-BENZODIAZEPIN-2-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound H010-0221C
N-CYCLOHEXYL-3-[4-(PROPAN-2-YL)PHENYL]-4,5-DIHYDRO-3H-1,4-BENZODIAZEPIN-2-AMINE

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

H010-0221C

Molecular Formula

C24H31N3 (C24 H31 N3)

Compound Name

N-CYCLOHEXYL-3-[4-(PROPAN-2-YL)PHENYL]-4,5-DIHYDRO-3H-1,4-BENZODIAZEPIN-2-AMINE

IUPAC name

N-cyclohexyl-3-[4-(propan-2-yl)phenyl]-45-dihydro-3H-14-benzodiazepin-2-amine

SMILES

CC(C)c1ccc(C2NCc(cccc3)c3N=C2NC2CCCCC2)cc1

InChI

InChI=1S/C24H31N3/c1-17(2)18-12-14-19(15-13-18)23-24(26-21-9-4-3-5-10-21)27-22-11-7-6-8-20(22)16-25-23/h6-8,11-15,17,21,23,25H,3-5,9-10,16H2,1-2H3,(H,26,27)/t23-/m0/s1

InChI Key

AXTUMOLWUGIRDI-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27214287

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

361.53

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.279

Distribution Coefficient, logD

4.544

Water Solubility, LogSw

-5.30

Polar Surface Area

32.061

Acid Dissociation Constant (pKa)

16.00

Base Dissociation Constant (pKb)

8.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

H010-0221C in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with H010-0221C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H010-0221C?
Check Price and Availability of H010-0221C, 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 H010-0221C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H010-0221C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H010-0221C
  • 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 H010-0221C available by request