V015-1298 Screening compound: 2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(2,4-dimethylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide

V015-1298 Screening compound: 2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(2,4-dimethylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide
V015-1298 Screening compound: 2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(2,4-dimethylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-1298
2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(2,4-dimethylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide

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

V015-1298

Molecular Formula

C32H33F2N5O2S (C32 H33 F2 N5 O2 S)

Compound Name

2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(2,4-dimethylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide

IUPAC name

2-[3-tert-butyl-4-(24-difluorophenyl)-1-(24-dimethylphenyl)-7-oxo-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide

SMILES

CC(C)(C)c(c(C(c(ccc(F)c1)c1F)SC1)c2N(CC(NCc3ccncc3)=O)C1=O)nn2-c1c(C)cc(C)cc1

InChI

InChI=1S/C32H33F2N5O2S/c1-19-6-9-25(20(2)14-19)39-31-28(30(37-39)32(3,4)5)29(23-8-7-22(33)15-24(23)34)42-18-27(41)38(31)17-26(40)36-16-21-10-12-35-13-11-21/h6-15,29H,16-18H2,1-5H3,(H,36,40)/t29-/m1/s1

InChI Key

MMYWZUGWZSBIDJ-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD19793982

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

589.71

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.115

Distribution Coefficient, logD

6.112

Water Solubility, LogSw

-5.27

Polar Surface Area

63.895

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

V015-1298 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 V015-1298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-1298?
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What is the minimum amount of V015-1298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-1298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-1298
  • 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 V015-1298 available by request