V009-5010 Screening compound: N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide

V009-5010 Screening compound: N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
V009-5010 Screening compound: N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-5010
N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]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

V009-5010

Molecular Formula

C31H29FN4O4S (C31 H29 FN4 O4 S)

Compound Name

N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide

IUPAC name

N-cyclopropyl-2-[4-(25-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]acetamide

SMILES

COc(cc1)cc(C(c(c(-c2ccccc2)nn2-c(cc3)ccc3F)c2N2CC(NC3CC3)=O)SCC2=O)c1OC

InChI

InChI=1S/C31H29FN4O4S/c1-39-23-14-15-25(40-2)24(16-23)30-28-29(19-6-4-3-5-7-19)34-36(22-12-8-20(32)9-13-22)31(28)35(27(38)18-41-30)17-26(37)33-21-10-11-21/h3-9,12-16,21,30H,10-11,17-18H2,1-2H3,(H,33,37)/t30-/m1/s1

InChI Key

JLQGYSHCASHSCE-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD19789343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.198

Distribution Coefficient, logD

5.198

Water Solubility, LogSw

-5.04

Polar Surface Area

69.727

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.80

References: we are preparing a list of scientific research reports with V009-5010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-5010?
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What is the minimum amount of V009-5010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-5010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-5010
  • 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 V009-5010 available by request