V004-1897 Screening compound: 1-{2-[1-(4-nitrophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-1-(propan-2-yl)-3-propylurea

V004-1897 Screening compound: 1-{2-[1-(4-nitrophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-1-(propan-2-yl)-3-propylurea
V004-1897 Screening compound: 1-{2-[1-(4-nitrophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-1-(propan-2-yl)-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1897
1-{2-[1-(4-nitrophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-1-(propan-2-yl)-3-propylurea

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

V004-1897

Molecular Formula

C22H29N5O4 (C22 H29 N5 O4)

Compound Name

1-{2-[1-(4-nitrophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl}-1-(propan-2-yl)-3-propylurea

IUPAC name

1-{2-[1-(4-nitrophenyl)-1H2H3H4H-pyrrolo[12-a]pyrazin-2-yl]-2-oxoethyl}-1-(propan-2-yl)-3-propylurea

SMILES

CCCNC(N(CC(N(CCn1c2ccc1)C2c(cc1)ccc1[N+]([O-])=O)=O)C(C)C)=O

InChI

InChI=1S/C22H29N5O4/c1-4-11-23-22(29)26(16(2)3)15-20(28)25-14-13-24-12-5-6-19(24)21(25)17-7-9-18(10-8-17)27(30)31/h5-10,12,16,21H,4,11,13-15H2,1-3H3,(H,23,29)/t21-/m1/s1

InChI Key

LLSCWQUYETXLNZ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19799801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.724

Distribution Coefficient, logD

3.724

Water Solubility, LogSw

-3.81

Polar Surface Area

77.697

Acid Dissociation Constant (pKa)

17.49

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

V004-1897 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V004-1897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1897?
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What is the minimum amount of V004-1897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1897
  • 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 V004-1897 available by request