V029-6253 Screening compound: benzyl 4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-2-methyltetrahydro-1(2H)-pyrazinecarboxylate

V029-6253 Screening compound: benzyl 4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-2-methyltetrahydro-1(2H)-pyrazinecarboxylate
V029-6253 Screening compound: benzyl 4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-2-methyltetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-6253
benzyl 4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-2-methyltetrahydro-1(2H)-pyrazinecarboxylate

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

V029-6253

Molecular Formula

C28H29N3O3 (C28 H29 N3 O3)

Compound Name

benzyl 4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-2-methyltetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

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

SMILES

CC(CN(CC1)C2=Nc(ccc(C)c3)c3Oc3c2cc(C)cc3)N1C(OCc1ccccc1)=O

InChI

InChI=1S/C28H29N3O3/c1-19-10-12-25-23(15-19)27(29-24-11-9-20(2)16-26(24)34-25)30-13-14-31(21(3)17-30)28(32)33-18-22-7-5-4-6-8-22/h4-12,15-16,21H,13-14,17-18H2,1-3H3/t21-/m0/s1

InChI Key

WJFXGNRJHJYBDF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14283589

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

455.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.879

Distribution Coefficient, logD

5.312

Water Solubility, LogSw

-5.55

Polar Surface Area

40.364

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

V029-6253 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V029-6253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-6253?
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What is the minimum amount of V029-6253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-6253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-6253
  • 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 V029-6253 available by request