V015-7931 Screening compound: 1-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(thiophene-2-carbonyl)-1,4-diazepane

V015-7931 Screening compound: 1-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(thiophene-2-carbonyl)-1,4-diazepane
V015-7931 Screening compound: 1-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(thiophene-2-carbonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-7931
1-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(thiophene-2-carbonyl)-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

V015-7931

Molecular Formula

C28H26N6OS (C28 H26 N6 OS)

Compound Name

1-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(thiophene-2-carbonyl)-1,4-diazepane

IUPAC name

1-{6-benzyl-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}-4-(thiophene-2-carbonyl)-14-diazepane

SMILES

O=C(c1cccs1)N(CCC1)CCN1c1nc(Cc2ccccc2)nc2c1cnn2-c1ccccc1

InChI

InChI=1S/C28H26N6OS/c35-28(24-13-7-18-36-24)33-15-8-14-32(16-17-33)26-23-20-29-34(22-11-5-2-6-12-22)27(23)31-25(30-26)19-21-9-3-1-4-10-21/h1-7,9-13,18,20H,8,14-17,19H2

InChI Key

MMRFVYVDACBGGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19858847

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

494.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.646

Distribution Coefficient, logD

5.636

Water Solubility, LogSw

-5.71

Polar Surface Area

55.147

Acid Dissociation Constant (pKa)

21.65

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with V015-7931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-7931?
Check Price and Availability of V015-7931, 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 V015-7931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-7931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-7931
  • 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 V015-7931 available by request