V010-4605 Screening compound: 2-[4-(3-fluorophenyl)-1-(4-methoxyphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide

V010-4605 Screening compound: 2-[4-(3-fluorophenyl)-1-(4-methoxyphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
V010-4605 Screening compound: 2-[4-(3-fluorophenyl)-1-(4-methoxyphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-4605
2-[4-(3-fluorophenyl)-1-(4-methoxyphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)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

V010-4605

Molecular Formula

C30H29FN4O4S (C30 H29 FN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COCCNC(CN(c1c(C(c2cc(F)ccc2)SC2)c(-c3ccccc3)nn1-c(cc1)ccc1OC)C2=O)=O

InChI

InChI=1S/C30H29FN4O4S/c1-38-16-15-32-25(36)18-34-26(37)19-40-29(21-9-6-10-22(31)17-21)27-28(20-7-4-3-5-8-20)33-35(30(27)34)23-11-13-24(39-2)14-12-23/h3-14,17,29H,15-16,18-19H2,1-2H3,(H,32,36)/t29-/m1/s1

InChI Key

CRWAHSSAIRYZDF-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD19794981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.541

Distribution Coefficient, logD

4.541

Water Solubility, LogSw

-4.35

Polar Surface Area

70.495

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with V010-4605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-4605?
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What is the minimum amount of V010-4605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-4605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-4605
  • 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 V010-4605 available by request