C076-0077 Screening compound: 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-7-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

C076-0077 Screening compound: 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-7-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
C076-0077 Screening compound: 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-7-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0077
5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-7-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

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

C076-0077

Molecular Formula

C24H21FN2O3 (C24 H21 FN2 O3)

Compound Name

5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-7-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-7-methyl-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

Cc(cc1)cc(C(c(cc2)ccc2F)N(C2)C(c(cc3)ccc3OC)=O)c1NC2=O

InChI

InChI=1S/C24H21FN2O3/c1-15-3-12-21-20(13-15)23(16-4-8-18(25)9-5-16)27(14-22(28)26-21)24(29)17-6-10-19(30-2)11-7-17/h3-13,23H,14H2,1-2H3,(H,26,28)/t23-/m0/s1

InChI Key

GMNXSXVPSHRWHY-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04455075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.290

Distribution Coefficient, logD

4.290

Water Solubility, LogSw

-4.27

Polar Surface Area

48.570

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C076-0077 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with C076-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0077?
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What is the minimum amount of C076-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0077
  • 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 C076-0077 available by request