1774-0006 Screening compound: (1E)-2-{1-[(4-tert-butylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-phenylethenyl benzoate

1774-0006 Screening compound: (1E)-2-{1-[(4-tert-butylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-phenylethenyl benzoate
1774-0006 Screening compound: (1E)-2-{1-[(4-tert-butylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-phenylethenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1774-0006
(1E)-2-{1-[(4-tert-butylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-phenylethenyl 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

1774-0006

Molecular Formula

C33H30N2O2 (C33 H30 N2 O2)

Compound Name

(1E)-2-{1-[(4-tert-butylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-phenylethenyl benzoate

IUPAC name

(1E)-2-{1-[(4-tert-butylphenyl)methyl]-1H-13-benzodiazol-2-yl}-1-phenylethenyl benzoate

SMILES

CC(C)(C)c1ccc(Cn2c(cccc3)c3nc2/C=C(\c2ccccc2)/OC(c2ccccc2)=O)cc1

InChI

InChI=1S/C33H30N2O2/c1-33(2,3)27-20-18-24(19-21-27)23-35-29-17-11-10-16-28(29)34-31(35)22-30(25-12-6-4-7-13-25)37-32(36)26-14-8-5-9-15-26/h4-22H,23H2,1-3H3

InChI Key

IKMFAGSODDSAGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.663

Distribution Coefficient, logD

8.663

Water Solubility, LogSw

-5.95

Polar Surface Area

30.560

Acid Dissociation Constant (pKa)

21.80

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.20

1774-0006 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 1774-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1774-0006?
Check Price and Availability of 1774-0006, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1774-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1774-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1774-0006
  • 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 1774-0006 available by request