V013-1664 Screening compound: N-ethyl-4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

V013-1664 Screening compound: N-ethyl-4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
V013-1664 Screening compound: N-ethyl-4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1664
N-ethyl-4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

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

V013-1664

Molecular Formula

C25H34FN7O (C25 H34 FN7 O)

Compound Name

N-ethyl-4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

IUPAC name

N-ethyl-4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]-14-diazepane-1-carboxamide

SMILES

CCNC(N(CCC1)CCN1c1c(c(C)nn2-c(cc3)ccc3F)c2nc(CCC(C)C)n1)=O

InChI

InChI=1S/C25H34FN7O/c1-5-27-25(34)32-14-6-13-31(15-16-32)23-22-18(4)30-33(20-10-8-19(26)9-11-20)24(22)29-21(28-23)12-7-17(2)3/h8-11,17H,5-7,12-16H2,1-4H3,(H,27,34)

InChI Key

HIRDHPPLMUXAON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862954

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.665

Distribution Coefficient, logD

4.007

Water Solubility, LogSw

-4.48

Polar Surface Area

64.793

Acid Dissociation Constant (pKa)

16.62

Base Dissociation Constant (pKb)

7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

V013-1664 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V013-1664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1664?
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What is the minimum amount of V013-1664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1664
  • 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 V013-1664 available by request