V030-6008 Screening compound: 1-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(thiophene-2-carbonyl)piperazine

V030-6008 Screening compound: 1-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(thiophene-2-carbonyl)piperazine
V030-6008 Screening compound: 1-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(thiophene-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-6008
1-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(thiophene-2-carbonyl)piperazine

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

V030-6008

Molecular Formula

C28H31FN6OS (C28 H31 FN6 OS)

Compound Name

1-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(thiophene-2-carbonyl)piperazine

IUPAC name

1-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[34-d]pyrimidin-4-yl]-4-(thiophene-2-carbonyl)piperazine

SMILES

Cc(c1c2nc(CC3CCCCC3)nc1N(CC1)CCN1C(c1cccs1)=O)nn2-c(cc1)ccc1F

InChI

InChI=1S/C28H31FN6OS/c1-19-25-26(33-13-15-34(16-14-33)28(36)23-8-5-17-37-23)30-24(18-20-6-3-2-4-7-20)31-27(25)35(32-19)22-11-9-21(29)10-12-22/h5,8-12,17,20H,2-4,6-7,13-16,18H2,1H3

InChI Key

YWCSDUGCDSNYGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862570

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

518.66

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

6.193

Distribution Coefficient, logD

5.502

Water Solubility, LogSw

-5.71

Polar Surface Area

55.361

Acid Dissociation Constant (pKa)

21.60

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

V030-6008 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V030-6008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6008?
Check Price and Availability of V030-6008, 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 V030-6008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6008
  • 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 V030-6008 available by request