V011-8410 Screening compound: 1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(4-chloro-3-nitrobenzoyl)-1,4-diazepane

V011-8410 Screening compound: 1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(4-chloro-3-nitrobenzoyl)-1,4-diazepane
V011-8410 Screening compound: 1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(4-chloro-3-nitrobenzoyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-8410
1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(4-chloro-3-nitrobenzoyl)-1,4-diazepane

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

V011-8410

Molecular Formula

C31H28ClN7O3 (C31 H28 ClN7 O3)

Compound Name

1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(4-chloro-3-nitrobenzoyl)-1,4-diazepane

IUPAC name

1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}-4-(4-chloro-3-nitrobenzoyl)-14-diazepane

SMILES

Cc(c1c2nc(Cc3ccccc3)nc1N(CCC1)CCN1C(c(cc1)cc([N+]([O-])=O)c1Cl)=O)nn2-c1ccccc1

InChI

InChI=1S/C31H28ClN7O3/c1-21-28-29(36-15-8-16-37(18-17-36)31(40)23-13-14-25(32)26(20-23)39(41)42)33-27(19-22-9-4-2-5-10-22)34-30(28)38(35-21)24-11-6-3-7-12-24/h2-7,9-14,20H,8,15-19H2,1H3

InChI Key

FGTUGAZYYBMQRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19854044

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

582.06

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.436

Distribution Coefficient, logD

5.334

Water Solubility, LogSw

-5.97

Polar Surface Area

87.562

Acid Dissociation Constant (pKa)

21.58

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.60

References: we are preparing a list of scientific research reports with V011-8410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-8410?
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What is the minimum amount of V011-8410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-8410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-8410
  • 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 V011-8410 available by request