V010-9018 Screening compound: 1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}pentan-1-one

V010-9018 Screening compound: 1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}pentan-1-one
V010-9018 Screening compound: 1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}pentan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9018
1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}pentan-1-one

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

V010-9018

Molecular Formula

C29H33FN6O (C29 H33 FN6 O)

Compound Name

1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}pentan-1-one

IUPAC name

1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[34-d]pyrimidin-4-yl]-14-diazepan-1-yl}pentan-1-one

SMILES

CCCCC(N(CCC1)CCN1c1c(c(C)nn2-c(cc3)ccc3F)c2nc(Cc2ccccc2)n1)=O

InChI

InChI=1S/C29H33FN6O/c1-3-4-11-26(37)34-16-8-17-35(19-18-34)28-27-21(2)33-36(24-14-12-23(30)13-15-24)29(27)32-25(31-28)20-22-9-6-5-7-10-22/h5-7,9-10,12-15H,3-4,8,11,16-20H2,1-2H3

InChI Key

AHMPGYMOBWLMOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862878

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.469

Distribution Coefficient, logD

5.367

Water Solubility, LogSw

-5.40

Polar Surface Area

54.225

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

V010-9018 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V010-9018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9018?
Check Price and Availability of V010-9018, 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 V010-9018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9018
  • 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 V010-9018 available by request