C800-0647 Screening compound: 4-benzoyl-6-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C800-0647 Screening compound: 4-benzoyl-6-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
C800-0647 Screening compound: 4-benzoyl-6-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0647
4-benzoyl-6-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

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

C800-0647

Molecular Formula

C24H21ClN2O4 (C24 H21 ClN2 O4)

Compound Name

4-benzoyl-6-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

IUPAC name

4-benzoyl-6-chloro-N-[(4-methoxyphenyl)methyl]-34-dihydro-2H-14-benzoxazine-2-carboxamide

SMILES

COc1ccc(CNC(C(C2)Oc(ccc(Cl)c3)c3N2C(c2ccccc2)=O)=O)cc1

InChI

InChI=1S/C24H21ClN2O4/c1-30-19-10-7-16(8-11-19)14-26-23(28)22-15-27(24(29)17-5-3-2-4-6-17)20-13-18(25)9-12-21(20)31-22/h2-13,22H,14-15H2,1H3,(H,26,28)/t22-/m1/s1

InChI Key

UWZPMEWEKLIAMY-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14799791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.748

Distribution Coefficient, logD

3.748

Water Solubility, LogSw

-4.26

Polar Surface Area

54.509

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C800-0647 in Drug Discovery

Included in Screening Libraries

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 C800-0647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0647?
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What is the minimum amount of C800-0647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0647
  • 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 C800-0647 available by request