V003-8530 Screening compound: N-[11-(diethylamino)dibenzo[b,f][1,4]oxazepin-2-yl]-N'-(4-methoxyphenyl)urea

V003-8530 Screening compound: N-[11-(diethylamino)dibenzo[b,f][1,4]oxazepin-2-yl]-N'-(4-methoxyphenyl)urea
V003-8530 Screening compound: N-[11-(diethylamino)dibenzo[b,f][1,4]oxazepin-2-yl]-N'-(4-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-8530
N-[11-(diethylamino)dibenzo[b,f][1,4]oxazepin-2-yl]-N'-(4-methoxyphenyl)urea

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

V003-8530

Molecular Formula

C25H26N4O3 (C25 H26 N4 O3)

Compound Name

N-[11-(diethylamino)dibenzo[b,f][1,4]oxazepin-2-yl]-N'-(4-methoxyphenyl)urea

IUPAC name

1-[10-(diethylamino)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaen-13-yl]-3-(4-methoxyphenyl)urea

SMILES

CCN(CC)C1=Nc(cccc2)c2Oc(cc2)c1cc2NC(Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C25H26N4O3/c1-4-29(5-2)24-20-16-18(27-25(30)26-17-10-13-19(31-3)14-11-17)12-15-22(20)32-23-9-7-6-8-21(23)28-24/h6-16H,4-5H2,1-3H3,(H2,26,27,30)

InChI Key

PGRQGQUJJZOYPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14265682

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.451

Distribution Coefficient, logD

4.511

Water Solubility, LogSw

-5.47

Polar Surface Area

57.392

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

8.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V003-8530 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 V003-8530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-8530?
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What is the minimum amount of V003-8530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-8530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-8530
  • 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 V003-8530 available by request