C798-1030 Screening compound: N-[2-(adamantan-1-yloxy)ethyl]-5-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)thiophene-2-carboxamide

C798-1030 Screening compound: N-[2-(adamantan-1-yloxy)ethyl]-5-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)thiophene-2-carboxamide
C798-1030 Screening compound: N-[2-(adamantan-1-yloxy)ethyl]-5-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1030
N-[2-(adamantan-1-yloxy)ethyl]-5-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)thiophene-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

C798-1030

Molecular Formula

C25H30N2O3S (C25 H30 N2 O3 S)

Compound Name

N-[2-(adamantan-1-yloxy)ethyl]-5-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)thiophene-2-carboxamide

IUPAC name

N-[2-(adamantan-1-yloxy)ethyl]-5-(34-dihydro-2H-14-benzoxazin-4-yl)thiophene-2-carboxamide

SMILES

O=C(c1ccc(N2c(cccc3)c3OCC2)s1)NCCOC1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C25H30N2O3S/c28-24(26-7-9-30-25-14-17-11-18(15-25)13-19(12-17)16-25)22-5-6-23(31-22)27-8-10-29-21-4-2-1-3-20(21)27/h1-6,17-19H,7-16H2,(H,26,28)

InChI Key

RIBHCXWRVMXPBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.810

Distribution Coefficient, logD

5.810

Water Solubility, LogSw

-5.90

Polar Surface Area

42.192

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

C798-1030 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C798-1030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1030?
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What is the minimum amount of C798-1030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1030
  • 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 C798-1030 available by request