C260-1172 Screening compound: N-(1-benzylpiperidin-4-yl)-4-(1-{[(2-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide

C260-1172 Screening compound: N-(1-benzylpiperidin-4-yl)-4-(1-{[(2-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide
C260-1172 Screening compound: N-(1-benzylpiperidin-4-yl)-4-(1-{[(2-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1172
N-(1-benzylpiperidin-4-yl)-4-(1-{[(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

C260-1172

Molecular Formula

C32H34FN5O4 (C32 H34 FN5 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCCN(C(c(cccc1)c1N1CC(Nc(cccc2)c2F)=O)=O)C1=O)NC1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C32H34FN5O4/c33-26-12-5-6-13-27(26)35-30(40)22-38-28-14-7-4-11-25(28)31(41)37(32(38)42)18-8-15-29(39)34-24-16-19-36(20-17-24)21-23-9-2-1-3-10-23/h1-7,9-14,24H,8,15-22H2,(H,34,39)(H,35,40)

InChI Key

DRODJHNRDLOSAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

571.65

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

2.693

Distribution Coefficient, logD

1.135

Water Solubility, LogSw

-3.43

Polar Surface Area

81.434

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C260-1172 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C260-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1172?
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What is the minimum amount of C260-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1172
  • 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 C260-1172 available by request