V030-5164 Screening compound: 1-(4-methoxyphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

V030-5164 Screening compound: 1-(4-methoxyphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
V030-5164 Screening compound: 1-(4-methoxyphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5164
1-(4-methoxyphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

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

V030-5164

Molecular Formula

C29H28N4O4S2 (C29 H28 N4 O4 S2)

Compound Name

1-(4-methoxyphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

1-(4-methoxyphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4-(thiophen-3-yl)-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

COc(cc1)ccc1-n(c(N1CC(N2CCOCC2)=O)c2C(c3cscc3)SCC1=O)nc2-c1ccccc1

InChI

InChI=1S/C29H28N4O4S2/c1-36-23-9-7-22(8-10-23)33-29-26(27(30-33)20-5-3-2-4-6-20)28(21-11-16-38-18-21)39-19-25(35)32(29)17-24(34)31-12-14-37-15-13-31/h2-11,16,18,28H,12-15,17,19H2,1H3/t28-/m0/s1

InChI Key

CZGHMXLXRSVOJZ-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19799068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.983

Distribution Coefficient, logD

3.983

Water Solubility, LogSw

-4.02

Polar Surface Area

62.888

Acid Dissociation Constant (pKa)

20.23

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.59

References: we are preparing a list of scientific research reports with V030-5164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5164?
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What is the minimum amount of V030-5164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5164
  • 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 V030-5164 available by request