V030-0801 Screening compound: 2-[3-tert-butyl-1-(4-methoxyphenyl)-4-(3-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide

V030-0801 Screening compound: 2-[3-tert-butyl-1-(4-methoxyphenyl)-4-(3-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide
V030-0801 Screening compound: 2-[3-tert-butyl-1-(4-methoxyphenyl)-4-(3-methylphenyl)-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 V030-0801
2-[3-tert-butyl-1-(4-methoxyphenyl)-4-(3-methylphenyl)-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

V030-0801

Molecular Formula

C32H35N5O3S (C32 H35 N5 O3 S)

Compound Name

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

SMILES

CC(C)(C)c(c(C(c1cc(C)ccc1)SC1)c2N(CC(NCc3ccncc3)=O)C1=O)nn2-c(cc1)ccc1OC

InChI

InChI=1S/C32H35N5O3S/c1-21-7-6-8-23(17-21)29-28-30(32(2,3)4)35-37(24-9-11-25(40-5)12-10-24)31(28)36(27(39)20-41-29)19-26(38)34-18-22-13-15-33-16-14-22/h6-17,29H,18-20H2,1-5H3,(H,34,38)/t29-/m1/s1

InChI Key

IJUGDSCYVHYLFJ-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD19799740

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

569.73

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

5.295

Distribution Coefficient, logD

5.292

Water Solubility, LogSw

-5.12

Polar Surface Area

71.740

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with V030-0801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-0801?
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What is the minimum amount of V030-0801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-0801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-0801
  • 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 V030-0801 available by request