C260-1572 Screening compound: N-(1-benzylpiperidin-4-yl)-4-(1-{[(4-bromo-2-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide

C260-1572 Screening compound: N-(1-benzylpiperidin-4-yl)-4-(1-{[(4-bromo-2-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide
C260-1572 Screening compound: N-(1-benzylpiperidin-4-yl)-4-(1-{[(4-bromo-2-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1572
N-(1-benzylpiperidin-4-yl)-4-(1-{[(4-bromo-2-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide

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

C260-1572

Molecular Formula

C32H33BrFN5O4 (C32 H33 BrFN5 O4)

Compound Name

N-(1-benzylpiperidin-4-yl)-4-(1-{[(4-bromo-2-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-4-(1-{[(4-bromo-2-fluorophenyl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazolin-3-yl)butanamide

SMILES

O=C(CCCN(C(c(cccc1)c1N1CC(Nc(ccc(Br)c2)c2F)=O)=O)C1=O)NC1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C32H33BrFN5O4/c33-23-12-13-27(26(34)19-23)36-30(41)21-39-28-10-5-4-9-25(28)31(42)38(32(39)43)16-6-11-29(40)35-24-14-17-37(18-15-24)20-22-7-2-1-3-8-22/h1-5,7-10,12-13,19,24H,6,11,14-18,20-21H2,(H,35,40)(H,36,41)

InChI Key

FPOXTHFYQILKDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

650.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.593

Distribution Coefficient, logD

2.035

Water Solubility, LogSw

-3.91

Polar Surface Area

81.434

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C260-1572 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C260-1572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1572?
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What is the minimum amount of C260-1572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1572
  • 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 C260-1572 available by request