V010-3833 Screening compound: 2-[1-tert-butyl-4-(2-chlorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide

V010-3833 Screening compound: 2-[1-tert-butyl-4-(2-chlorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
V010-3833 Screening compound: 2-[1-tert-butyl-4-(2-chlorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-3833
2-[1-tert-butyl-4-(2-chlorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)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

V010-3833

Molecular Formula

C28H33ClN4O2S (C28 H33 ClN4 O2 S)

Compound Name

2-[1-tert-butyl-4-(2-chlorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide

IUPAC name

2-[1-tert-butyl-4-(2-chlorophenyl)-7-oxo-3-phenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-(2-methylpropyl)acetamide

SMILES

CC(C)CNC(CN(c1c(C(c(cccc2)c2Cl)SC2)c(-c3ccccc3)nn1C(C)(C)C)C2=O)=O

InChI

InChI=1S/C28H33ClN4O2S/c1-18(2)15-30-22(34)16-32-23(35)17-36-26(20-13-9-10-14-21(20)29)24-25(19-11-7-6-8-12-19)31-33(27(24)32)28(3,4)5/h6-14,18,26H,15-17H2,1-5H3,(H,30,34)/t26-/m1/s1

InChI Key

OVMVNBHALDQNJF-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19789632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.11

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.611

Distribution Coefficient, logD

5.611

Water Solubility, LogSw

-5.84

Polar Surface Area

55.735

Acid Dissociation Constant (pKa)

15.96

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with V010-3833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-3833?
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What is the minimum amount of V010-3833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-3833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-3833
  • 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 V010-3833 available by request