V030-0837 Screening compound: 2-[3-tert-butyl-4-(3-methylphenyl)-1-(4-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide

V030-0837 Screening compound: 2-[3-tert-butyl-4-(3-methylphenyl)-1-(4-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide
V030-0837 Screening compound: 2-[3-tert-butyl-4-(3-methylphenyl)-1-(4-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-0837
2-[3-tert-butyl-4-(3-methylphenyl)-1-(4-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-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

V030-0837

Molecular Formula

C32H35N5O2S (C32 H35 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(c(C(c1cc(C)ccc1)SC1)c2N(CC(NCc3cnccc3)=O)C1=O)nn2-c1ccc(C)cc1

InChI

InChI=1S/C32H35N5O2S/c1-21-11-13-25(14-12-21)37-31-28(30(35-37)32(3,4)5)29(24-10-6-8-22(2)16-24)40-20-27(39)36(31)19-26(38)34-18-23-9-7-15-33-17-23/h6-17,29H,18-20H2,1-5H3,(H,34,38)/t29-/m1/s1

InChI Key

TWRUOHSEEXLZFJ-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD19978080

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

553.73

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

5.865

Distribution Coefficient, logD

5.863

Water Solubility, LogSw

-5.08

Polar Surface Area

64.286

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with V030-0837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-0837?
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What is the minimum amount of V030-0837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-0837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-0837
  • 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 V030-0837 available by request