L110-0712 Screening compound: 1-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

L110-0712 Screening compound: 1-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione
L110-0712 Screening compound: 1-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L110-0712
1-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

L110-0712

Molecular Formula

C22H19BrN4O4 (C22 H19 BrN4 O4)

Compound Name

1-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

1-{[3-(4-bromophenyl)-124-oxadiazol-5-yl]methyl}-3-[(oxolan-2-yl)methyl]-1234-tetrahydroquinazoline-24-dione

SMILES

O=C(c(cccc1)c1N1Cc2nc(-c(cc3)ccc3Br)no2)N(CC2OCCC2)C1=O

InChI

InChI=1S/C22H19BrN4O4/c23-15-9-7-14(8-10-15)20-24-19(31-25-20)13-26-18-6-2-1-5-17(18)21(28)27(22(26)29)12-16-4-3-11-30-16/h1-2,5-10,16H,3-4,11-13H2/t16-/m1/s1

InChI Key

NKOFIXCVWHWXTG-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD11999205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.910

Distribution Coefficient, logD

3.910

Water Solubility, LogSw

-4.17

Polar Surface Area

71.264

Acid Dissociation Constant (pKa)

26.48

Base Dissociation Constant (pKb)

-6.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

L110-0712 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with L110-0712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L110-0712?
Check Price and Availability of L110-0712, 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 L110-0712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L110-0712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L110-0712
  • 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 L110-0712 available by request