V015-7816 Screening compound: 1-[6-benzyl-3-(4-tert-butylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-4-(ethanesulfonyl)-1,4-diazepane

V015-7816 Screening compound: 1-[6-benzyl-3-(4-tert-butylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-4-(ethanesulfonyl)-1,4-diazepane
V015-7816 Screening compound: 1-[6-benzyl-3-(4-tert-butylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-4-(ethanesulfonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-7816
1-[6-benzyl-3-(4-tert-butylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-4-(ethanesulfonyl)-1,4-diazepane

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

V015-7816

Molecular Formula

C29H35N5O3S (C29 H35 N5 O3 S)

Compound Name

1-[6-benzyl-3-(4-tert-butylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-4-(ethanesulfonyl)-1,4-diazepane

IUPAC name

1-[6-benzyl-3-(4-tert-butylphenyl)-[12]oxazolo[54-d]pyrimidin-4-yl]-4-(ethanesulfonyl)-14-diazepane

SMILES

CCS(N(CCC1)CCN1c1nc(Cc2ccccc2)nc2c1c(-c1ccc(C(C)(C)C)cc1)no2)(=O)=O

InChI

InChI=1S/C29H35N5O3S/c1-5-38(35,36)34-17-9-16-33(18-19-34)27-25-26(22-12-14-23(15-13-22)29(2,3)4)32-37-28(25)31-24(30-27)20-21-10-7-6-8-11-21/h6-8,10-15H,5,9,16-20H2,1-4H3

InChI Key

QHLITDZYZWKKSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19938267

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

533.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.195

Distribution Coefficient, logD

6.195

Water Solubility, LogSw

-5.94

Polar Surface Area

77.031

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

V015-7816 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V015-7816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-7816?
Check Price and Availability of V015-7816, 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 V015-7816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-7816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-7816
  • 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 V015-7816 available by request