V009-6295 Screening compound: methyl 3,5-dimethoxy-2-[6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazol-2-yl]benzoate

V009-6295 Screening compound: methyl 3,5-dimethoxy-2-[6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazol-2-yl]benzoate
V009-6295 Screening compound: methyl 3,5-dimethoxy-2-[6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazol-2-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-6295
methyl 3,5-dimethoxy-2-[6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazol-2-yl]benzoate

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

V009-6295

Molecular Formula

C26H25NO8 (C26 H25 NO8)

Compound Name

methyl 3,5-dimethoxy-2-[6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazol-2-yl]benzoate

IUPAC name

methyl 35-dimethoxy-2-[6-(234-trimethoxyphenyl)-13-benzoxazol-2-yl]benzoate

SMILES

COC(c1c(-c2nc(ccc(-c(ccc(OC)c3OC)c3OC)c3)c3o2)c(OC)cc(OC)c1)=O

InChI

InChI=1S/C26H25NO8/c1-29-15-12-17(26(28)34-6)22(21(13-15)31-3)25-27-18-9-7-14(11-20(18)35-25)16-8-10-19(30-2)24(33-5)23(16)32-4/h7-13H,1-6H3

InChI Key

NITHZBKYHSWFNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19951240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.815

Distribution Coefficient, logD

4.815

Water Solubility, LogSw

-4.84

Polar Surface Area

76.190

Acid Dissociation Constant (pKa)

32.83

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V009-6295 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Bromodomain Modulators Library (5801 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V009-6295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-6295?
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What is the minimum amount of V009-6295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-6295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-6295
  • 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 V009-6295 available by request