D704-3057 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-3-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]quinolin-2-amine

D704-3057 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-3-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]quinolin-2-amine
D704-3057 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-3-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]quinolin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D704-3057
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-3-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]quinolin-2-amine

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

D704-3057

Molecular Formula

C25H28N4O3 (C25 H28 N4 O3)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-3-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]quinolin-2-amine

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-6-methyl-3-[5-(propan-2-yl)-124-oxadiazol-3-yl]quinolin-2-amine

SMILES

CC(C)c1nc(-c2cc3cc(C)ccc3nc2NCCc(cc2)cc(OC)c2OC)no1

InChI

InChI=1S/C25H28N4O3/c1-15(2)25-28-24(29-32-25)19-14-18-12-16(3)6-8-20(18)27-23(19)26-11-10-17-7-9-21(30-4)22(13-17)31-5/h6-9,12-15H,10-11H2,1-5H3,(H,26,27)

InChI Key

NFVGQZDXPCTCLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27597277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.938

Distribution Coefficient, logD

5.452

Water Solubility, LogSw

-5.88

Polar Surface Area

66.223

Acid Dissociation Constant (pKa)

20.16

Base Dissociation Constant (pKb)

7.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

D704-3057 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D704-3057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D704-3057?
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What is the minimum amount of D704-3057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D704-3057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D704-3057
  • 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 D704-3057 available by request