V008-8001 Screening compound: (2-chloro-3-pyridyl)[4-(2-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]methanone

V008-8001 Screening compound: (2-chloro-3-pyridyl)[4-(2-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]methanone
V008-8001 Screening compound: (2-chloro-3-pyridyl)[4-(2-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-8001
(2-chloro-3-pyridyl)[4-(2-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]methanone

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

V008-8001

Molecular Formula

C26H25ClN4O3 (C26 H25 ClN4 O3)

Compound Name

(2-chloro-3-pyridyl)[4-(2-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]methanone

IUPAC name

10-[4-(2-chloropyridine-3-carbonyl)-14-diazepan-1-yl]-13-methoxy-5-methyl-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaene

SMILES

Cc(cc1)cc(Oc(cc2)c3cc2OC)c1N=C3N(CCC1)CCN1C(c1cccnc1Cl)=O

InChI

InChI=1S/C26H25ClN4O3/c1-17-6-8-21-23(15-17)34-22-9-7-18(33-2)16-20(22)25(29-21)30-11-4-12-31(14-13-30)26(32)19-5-3-10-28-24(19)27/h3,5-10,15-16H,4,11-14H2,1-2H3

InChI Key

KUEGPGMRACLTKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14283346

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

476.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.108

Distribution Coefficient, logD

2.405

Water Solubility, LogSw

-4.58

Polar Surface Area

52.278

Acid Dissociation Constant (pKa)

27.65

Base Dissociation Constant (pKb)

9.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

V008-8001 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V008-8001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-8001?
Check Price and Availability of V008-8001, 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 V008-8001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-8001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-8001
  • 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 V008-8001 available by request