V020-6612 Screening compound: N~1~-benzyl-4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)tetrahydro-1(2H)-pyrazinecarboxamide

V020-6612 Screening compound: N~1~-benzyl-4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)tetrahydro-1(2H)-pyrazinecarboxamide
V020-6612 Screening compound: N~1~-benzyl-4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-6612
N~1~-benzyl-4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)tetrahydro-1(2H)-pyrazinecarboxamide

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

V020-6612

Molecular Formula

C27H28N4O2 (C27 H28 N4 O2)

Compound Name

N~1~-benzyl-4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

N-benzyl-4-{513-dimethyl-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaen-10-yl}piperazine-1-carboxamide

SMILES

Cc(cc1)cc2c1Oc(cc(C)cc1)c1N=C2N(CC1)CCN1C(NCc1ccccc1)=O

InChI

InChI=1S/C27H28N4O2/c1-19-9-11-24-22(16-19)26(29-23-10-8-20(2)17-25(23)33-24)30-12-14-31(15-13-30)27(32)28-18-21-6-4-3-5-7-21/h3-11,16-17H,12-15,18H2,1-2H3,(H,28,32)

InChI Key

KTAWOMUDAUMIBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14284122

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

440.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.567

Distribution Coefficient, logD

3.781

Water Solubility, LogSw

-4.40

Polar Surface Area

44.861

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

8.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V020-6612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-6612?
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What is the minimum amount of V020-6612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-6612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-6612
  • 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 V020-6612 available by request