C700-0334 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

C700-0334 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide
C700-0334 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0334
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

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

C700-0334

Molecular Formula

C31H33N3O3 (C31 H33 N3 O3)

Compound Name

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

IUPAC name

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzoxazin-2-ylidene]methyl}benzamide

SMILES

CCN1C(CNC(c2ccc(/C=C3/Oc(cccc4)c4N(Cc4cc(C)ccc4)C3=O)cc2)=O)CCC1

InChI

InChI=1S/C31H33N3O3/c1-3-33-17-7-10-26(33)20-32-30(35)25-15-13-23(14-16-25)19-29-31(36)34(21-24-9-6-8-22(2)18-24)27-11-4-5-12-28(27)37-29/h4-6,8-9,11-16,18-19,26H,3,7,10,17,20-21H2,1-2H3,(H,32,35)/t26-/m1/s1

InChI Key

KXTHRFIBIWNSHG-AREMUKBSSA-N

MDL Number (MFCD)

MFCD14784715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.153

Distribution Coefficient, logD

4.613

Water Solubility, LogSw

-5.00

Polar Surface Area

51.353

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.00

C700-0334 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C700-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0334?
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What is the minimum amount of C700-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0334
  • 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 C700-0334 available by request