V010-5373 Screening compound: 6,7-dimethyl-2-[4-(4-pentylbenzoyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline

V010-5373 Screening compound: 6,7-dimethyl-2-[4-(4-pentylbenzoyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline
V010-5373 Screening compound: 6,7-dimethyl-2-[4-(4-pentylbenzoyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-5373
6,7-dimethyl-2-[4-(4-pentylbenzoyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline

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

V010-5373

Molecular Formula

C33H38N4O (C33 H38 N4 O)

Compound Name

6,7-dimethyl-2-[4-(4-pentylbenzoyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline

IUPAC name

67-dimethyl-2-[4-(4-pentylbenzoyl)-14-diazepan-1-yl]-3-phenylquinoxaline

SMILES

CCCCCc(cc1)ccc1C(N(CCC1)CCN1c1nc2cc(C)c(C)cc2nc1-c1ccccc1)=O

InChI

InChI=1S/C33H38N4O/c1-4-5-7-11-26-14-16-28(17-15-26)33(38)37-19-10-18-36(20-21-37)32-31(27-12-8-6-9-13-27)34-29-22-24(2)25(3)23-30(29)35-32/h6,8-9,12-17,22-23H,4-5,7,10-11,18-21H2,1-3H3

InChI Key

XIEPQAATVRDAER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19955850

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

506.69

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.457

Distribution Coefficient, logD

8.456

Water Solubility, LogSw

-5.58

Polar Surface Area

37.843

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

V010-5373 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V010-5373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-5373?
Check Price and Availability of V010-5373, 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 V010-5373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-5373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-5373
  • 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 V010-5373 available by request