8012-3295 Screening compound: 2-{N-benzyl-1-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]formamido}-N-(2,6-dimethylphenyl)-2-(4-hydroxy-3-methoxyphenyl)acetamide

8012-3295 Screening compound: 2-{N-benzyl-1-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]formamido}-N-(2,6-dimethylphenyl)-2-(4-hydroxy-3-methoxyphenyl)acetamide
8012-3295 Screening compound: 2-{N-benzyl-1-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]formamido}-N-(2,6-dimethylphenyl)-2-(4-hydroxy-3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3295
2-{N-benzyl-1-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]formamido}-N-(2,6-dimethylphenyl)-2-(4-hydroxy-3-methoxyphenyl)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

8012-3295

Molecular Formula

C32H30N6O4 (C32 H30 N6 O4)

Compound Name

2-{N-benzyl-1-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]formamido}-N-(2,6-dimethylphenyl)-2-(4-hydroxy-3-methoxyphenyl)acetamide

IUPAC name

2-{N-benzyl-1-[4-(1H-1234-tetrazol-1-yl)phenyl]formamido}-N-(26-dimethylphenyl)-2-(4-hydroxy-3-methoxyphenyl)acetamide

SMILES

Cc1cccc(C)c1NC(C(c(cc1)cc(OC)c1O)N(Cc1ccccc1)C(c(cc1)ccc1-n1nnnc1)=O)=O

InChI

InChI=1S/C32H30N6O4/c1-21-8-7-9-22(2)29(21)34-31(40)30(25-14-17-27(39)28(18-25)42-3)37(19-23-10-5-4-6-11-23)32(41)24-12-15-26(16-13-24)38-20-33-35-36-38/h4-18,20,30,39H,19H2,1-3H3,(H,34,40)/t30-/m1/s1

InChI Key

SFLVETCYANVXAR-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD02934711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.446

Distribution Coefficient, logD

4.443

Water Solubility, LogSw

-4.20

Polar Surface Area

100.802

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.60

8012-3295 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8012-3295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3295?
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What is the minimum amount of 8012-3295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3295
  • 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 8012-3295 available by request