V029-6287 Screening compound: 4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-N~1~-(4-isopropylphenyl)tetrahydro-1(2H)-pyrazinecarboxamide

V029-6287 Screening compound: 4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-N~1~-(4-isopropylphenyl)tetrahydro-1(2H)-pyrazinecarboxamide
V029-6287 Screening compound: 4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-N~1~-(4-isopropylphenyl)tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-6287
4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-N~1~-(4-isopropylphenyl)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

V029-6287

Molecular Formula

C29H32N4O2 (C29 H32 N4 O2)

Compound Name

4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-N~1~-(4-isopropylphenyl)tetrahydro-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-[4-(propan-2-yl)phenyl]piperazine-1-carboxamide

SMILES

CC(C)c(cc1)ccc1NC(N(CC1)CCN1C1=Nc(ccc(C)c2)c2Oc2c1cc(C)cc2)=O

InChI

InChI=1S/C29H32N4O2/c1-19(2)22-7-9-23(10-8-22)30-29(34)33-15-13-32(14-16-33)28-24-17-20(3)6-12-26(24)35-27-18-21(4)5-11-25(27)31-28/h5-12,17-19H,13-16H2,1-4H3,(H,30,34)

InChI Key

BSAGGFAEXWGCTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14284126

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

468.6

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

6.278

Distribution Coefficient, logD

5.492

Water Solubility, LogSw

-5.48

Polar Surface Area

43.539

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

8.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

V029-6287 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 V029-6287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-6287?
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What is the minimum amount of V029-6287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-6287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-6287
  • 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 V029-6287 available by request