V011-9652 Screening compound: 1-(4-butoxybenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane

V011-9652 Screening compound: 1-(4-butoxybenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane
V011-9652 Screening compound: 1-(4-butoxybenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-9652
1-(4-butoxybenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-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

V011-9652

Molecular Formula

C36H40N6O2 (C36 H40 N6 O2)

Compound Name

1-(4-butoxybenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane

IUPAC name

1-(4-butoxybenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}-14-diazepane

SMILES

CCCCOc(cc1)ccc1C(N(CCC1)CCN1c1nc(Cc2ccc(C)cc2)nc2c1c(C)nn2-c1ccccc1)=O

InChI

InChI=1S/C36H40N6O2/c1-4-5-24-44-31-18-16-29(17-19-31)36(43)41-21-9-20-40(22-23-41)34-33-27(3)39-42(30-10-7-6-8-11-30)35(33)38-32(37-34)25-28-14-12-26(2)13-15-28/h6-8,10-19H,4-5,9,20-25H2,1-3H3

InChI Key

HOUCSEFLJPFDGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857320

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

588.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.161

Distribution Coefficient, logD

7.059

Water Solubility, LogSw

-5.99

Polar Surface Area

61.899

Acid Dissociation Constant (pKa)

21.58

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V011-9652 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V011-9652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-9652?
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What is the minimum amount of V011-9652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-9652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-9652
  • 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 V011-9652 available by request