V009-8776 Screening compound: 1-[(2-methylpropyl)({2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl})amino]-3-(morpholin-4-yl)propan-2-ol

V009-8776 Screening compound: 1-[(2-methylpropyl)({2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl})amino]-3-(morpholin-4-yl)propan-2-ol
V009-8776 Screening compound: 1-[(2-methylpropyl)({2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl})amino]-3-(morpholin-4-yl)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-8776
1-[(2-methylpropyl)({2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl})amino]-3-(morpholin-4-yl)propan-2-ol

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

V009-8776

Molecular Formula

C21H31N5O5 (C21 H31 N5 O5)

Compound Name

1-[(2-methylpropyl)({2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl})amino]-3-(morpholin-4-yl)propan-2-ol

IUPAC name

1-[(2-methylpropyl)({2-[3-(3-nitrophenyl)-124-oxadiazol-5-yl]ethyl})amino]-3-(morpholin-4-yl)propan-2-ol

SMILES

CC(C)CN(CCc1nc(-c2cccc([N+]([O-])=O)c2)no1)CC(CN1CCOCC1)O

InChI

InChI=1S/C21H31N5O5/c1-16(2)13-25(15-19(27)14-24-8-10-30-11-9-24)7-6-20-22-21(23-31-20)17-4-3-5-18(12-17)26(28)29/h3-5,12,16,19,27H,6-11,13-15H2,1-2H3/t19-/m1/s1

InChI Key

HXQVCKIXXALMQV-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19869585

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.777

Distribution Coefficient, logD

2.439

Water Solubility, LogSw

-3.04

Polar Surface Area

97.185

Acid Dissociation Constant (pKa)

15.99

Base Dissociation Constant (pKb)

7.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

V009-8776 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 V009-8776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-8776?
Check Price and Availability of V009-8776, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V009-8776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-8776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-8776
  • 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 V009-8776 available by request