C260-1017 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[1-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]pentanamide

C260-1017 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[1-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]pentanamide
C260-1017 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[1-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1017
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[1-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]pentanamide

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

C260-1017

Molecular Formula

C33H36N4O8 (C33 H36 N4 O8)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[1-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]pentanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-5-[1-({[2-(34-dimethoxyphenyl)ethyl]carbamoyl}methyl)-24-dioxo-1234-tetrahydroquinazolin-3-yl]pentanamide

SMILES

COc(ccc(CCNC(CN(c(cccc1)c1C(N1CCCCC(NCc(cc2)cc3c2OCO3)=O)=O)C1=O)=O)c1)c1OC

InChI

InChI=1S/C33H36N4O8/c1-42-26-12-10-22(17-28(26)43-2)14-15-34-31(39)20-37-25-8-4-3-7-24(25)32(40)36(33(37)41)16-6-5-9-30(38)35-19-23-11-13-27-29(18-23)45-21-44-27/h3-4,7-8,10-13,17-18H,5-6,9,14-16,19-21H2,1-2H3,(H,34,39)(H,35,38)

InChI Key

ZJESLXQKAYKUPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

616.67

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.961

Distribution Coefficient, logD

1.961

Water Solubility, LogSw

-2.97

Polar Surface Area

112.406

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C260-1017 in Drug Discovery

Included in Screening Libraries

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 C260-1017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1017?
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What is the minimum amount of C260-1017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1017
  • 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 C260-1017 available by request