C795-0631 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide

C795-0631 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide
C795-0631 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0631
N-{3-[cyclohexyl(methyl)amino]propyl}-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide

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

C795-0631

Molecular Formula

C23H35N3O3 (C23 H35 N3 O3)

Compound Name

N-{3-[cyclohexyl(methyl)amino]propyl}-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide

IUPAC name

N-{3-[cyclohexyl(methyl)amino]propyl}-4-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-4-oxobutanamide

SMILES

Cc(cc1)cc2c1OCCN2C(CCC(NCCCN(C)C1CCCCC1)=O)=O

InChI

InChI=1S/C23H35N3O3/c1-18-9-10-21-20(17-18)26(15-16-29-21)23(28)12-11-22(27)24-13-6-14-25(2)19-7-4-3-5-8-19/h9-10,17,19H,3-8,11-16H2,1-2H3,(H,24,27)

InChI Key

CHICHVKOYMHRSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.443

Distribution Coefficient, logD

-0.140

Water Solubility, LogSw

-2.86

Polar Surface Area

50.326

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.20

References: we are preparing a list of scientific research reports with C795-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0631?
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What is the minimum amount of C795-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0631
  • 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 C795-0631 available by request