V006-4201 Screening compound: 4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-N~1~-(2-methoxyphenyl)-2-methyltetrahydro-1(2H)-pyrazinecarboxamide

V006-4201 Screening compound: 4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-N~1~-(2-methoxyphenyl)-2-methyltetrahydro-1(2H)-pyrazinecarboxamide
V006-4201 Screening compound: 4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-N~1~-(2-methoxyphenyl)-2-methyltetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-4201
4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-N~1~-(2-methoxyphenyl)-2-methyltetrahydro-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

V006-4201

Molecular Formula

C28H30N4O3 (C28 H30 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(CN(CC1)C2=Nc(ccc(C)c3)c3Oc3c2cc(C)cc3)N1C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C28H30N4O3/c1-18-10-12-24-21(15-18)27(29-23-11-9-19(2)16-26(23)35-24)31-13-14-32(20(3)17-31)28(33)30-22-7-5-6-8-25(22)34-4/h5-12,15-16,20H,13-14,17H2,1-4H3,(H,30,33)/t20-/m0/s1

InChI Key

XECHGKPWIANXAU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14284147

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

470.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.477

Distribution Coefficient, logD

4.910

Water Solubility, LogSw

-5.41

Polar Surface Area

49.690

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with V006-4201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-4201?
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What is the minimum amount of V006-4201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-4201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-4201
  • 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 V006-4201 available by request